SCHEMBL6709201

SCHEMBL6709201

C=CCc1c(C=O)cccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCND1 P24385 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
SRC P12931 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
ERN1 O75460 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30428749 1.00 CCNB2 (0.52) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL430374 0.85 NPC1 (0.49) L3MBTL1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL11940501 0.85 PTGDR2 (0.46) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20767525 0.85 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8687875 0.82 CCNB2 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7396646 0.82 MAOA (0.46) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20690103 0.82 HPGD (0.46) L3MBTL1MAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7165848 0.80 CCNB2 (0.44) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7165851 0.80 CCNB2 (0.44) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9985970 0.80 MRGPRX4 (0.50) L3MBTL1MAPTALDH1A1SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249706-A Preparation method of intermediate for synthesizing prostacyclin derivative 常州方圆制药有限公司 2022-03-29 CN claimed
US-20250002442-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2025-01-02 US disclosed
US-20240287105-A1 TREPROSTINIL ANALOGS AND RELATED METHODS OF MAKING AND USING UNITED THERAPEUTICS CORPORATION (US) 2024-08-29 US disclosed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
US-20220213020-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2022-07-07 US disclosed
CN-114249706-A Preparation method of intermediate for synthesizing prostacyclin derivative 常州方圆制药有限公司 2022-03-29 CN disclosed
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2022-01-18 US disclosed
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2020-11-26 US disclosed
US-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2020-09-15 US disclosed
EP-2576492-A1 TREPROSTINIL PRODUCTION United Therapeutics Corporation (US) 2013-04-10 EP disclosed
US-20120226076-A1 SYNTHESIS OF INTERMEDIATE FOR TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-09-06 US disclosed
US-20120226076-A1 SYNTHESIS OF INTERMEDIATE FOR TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-09-06 US disclosed
US-20120197041-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-08-02 US disclosed
US-20120190888-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-07-26 US disclosed
US-20110319641-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2011-12-29 US disclosed
WO-2011153363-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION (US) 2011-12-08 WO disclosed
US-20040176645-A1 Process for stereoselective synthesis of prostacyclin derivatives UNITED THERAPEUTICS CORPORATION 2004-09-09 US disclosed
US-6569894-B1 Such as N-(3-(2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl)propyl)acetamide for treating circadian rhythm-related disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
US-20020099034-A1 Process for stereoselective synthesis of prostacyclin derivatives UNITED THERAPEUTICS CORPORATION 2002-07-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGES CCNB2 2223/4885CDK1 1125/4885CDK4 2029/4885
US-20120190888-A1 TREPROSTINIL PRODUCTION PTGIS, PTGIR, PTGES CCNB2 3210/4885CDK1 1520/4885CDK4 1700/4885
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX CCNB2 127/4885CDK1 274/4885CDK4 411/4885
US-20020099034-A1 Process for stereoselective synthesis of prostacyclin derivatives PTGIS, PTGES, PTGIR CCNB2 3657/4885CDK1 2703/4885CDK4 2867/4885
US-20240287105-A1 TREPROSTINIL ANALOGS AND RELATED METHODS OF MAKING AND USING TYMP, TTPA, PTGIS CCNB2 2605/4885CDK1 1849/4885CDK4 1952/4885
US-20110319641-A1 TREPROSTINIL PRODUCTION PTGIS, PTGIR, PTGES CCNB2 3182/4885CDK1 1765/4885CDK4 1656/4885
US-20120197041-A1 TREPROSTINIL PRODUCTION PTGIS, PTGIR, PTGES CCNB2 3210/4885CDK1 1520/4885CDK4 1700/4885
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGS2 CCNB2 447/4885CDK1 607/4885CDK4 2065/4885
US-20250002442-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES CCNB2 2223/4885CDK1 1125/4885CDK4 2029/4885
US-20220213020-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES CCNB2 2223/4885CDK1 1125/4885CDK4 2029/4885
US-20040176645-A1 Process for stereoselective synthesis of prostacyclin derivatives PTGIS, PTGES, PTGIR CCNB2 3657/4885CDK1 2703/4885CDK4 2867/4885
US-20120226076-A1 SYNTHESIS OF INTERMEDIATE FOR TREPROSTINIL PRODUCTION PTGIS, PTGES, TBXAS1 CCNB2 2382/4885CDK1 1041/4885CDK4 2040/4885
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES CCNB2 2223/4885CDK1 1125/4885CDK4 2029/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.