SCHEMBL871831

SCHEMBL871831

CC(C)OC(=O)C1(C(=O)OC(C)C)CC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL17969539 0.90 TSHR (0.33) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL15166890 0.84 MAPK1 (0.33) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL19748487 0.81 TSHR (0.36) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL21289831 0.79 TSHR (0.34) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL16486223 0.78 ALDH1A1 (0.36) TSHRCYP2D6ALDH1A1LMNAKDM4E
SCHEMBL9017781 0.77 TSHR (0.43) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL22747787 0.76 CYP2D6 (0.33) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL16700705 0.76 CYP2D6 (0.33) TSHRCYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL16700783 0.75 CYP2D6 (0.35) TSHRCYP2D6ALDH1A1SMN1; SMN2MAPK1
SCHEMBL23886668 0.75 NPSR1 (0.35) ALDH1A1LMNAKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
US-12331026-B2 Sulfonamido derivatives as cyclin-dependent kinase 2 inhibitors NIKANG THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
US-20250170130-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2025-05-29 US disclosed
EP-4536363-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS Nikang Therapeutics, Inc. (US) 2025-04-16 EP disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-119790053-A Sulfonamide derivatives as cyclin dependent kinase 2 inhibitors 霖康疗法公司 2025-04-08 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
WO-2025072462-A1 SULFONAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
US-8158616-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2012-04-17 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 EP disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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 (7 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 TSHR 733/4885CYP2D6 4626/4885ALDH1A1 1250/4885
US-12331026-B2 Sulfonamido derivatives as cyclin-dependent kinase 2 inhibitors CDK2, CCNK, CCNI TSHR 3290/4885CYP2D6 1780/4885ALDH1A1 3620/4885
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL TSHR 2133/4885CYP2D6 2037/4885ALDH1A1 2189/4885
US-20250170130-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 TSHR 3980/4885CYP2D6 4226/4885ALDH1A1 4067/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 TSHR 1890/4885CYP2D6 2773/4885ALDH1A1 3725/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD TSHR 142/4885CYP2D6 249/4885ALDH1A1 1374/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 TSHR 1890/4885CYP2D6 2773/4885ALDH1A1 3725/4885

“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.