SCHEMBL1393871

SCHEMBL1393871

CC(C)Cc1ccc(C(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.67
PGR P06401 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
SLC6A2 P23975 1/20 0.67
PPARG P37231 2/20 0.62
PPARA Q07869 2/20 0.62
PTGS2 P35354 7/20 0.61
LMNA P02545 2/20 0.61
CYP2C9 P11712 2/20 0.61
AKR1C3 P42330 2/20 0.61
CXCR1 P25024 2/20 0.61
CXCR2 P25025 2/20 0.61
ALOX5 P09917 2/20 0.61
ALB P02768 1/20 0.61
ESR1 P03372 1/20 0.61
RARB P10826 1/20 0.61
ADRB3 P13945 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR2A P28223 1/20 0.61
NR1I3 Q14994 1/20 0.61

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
SCHEMBL6792870 0.91 ALDH1A1 (0.58) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL6792877 0.91 ALDH1A1 (0.58) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL19774810 0.90 PTGS1 (0.57) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL10041458 0.89 PTGS1 (0.61) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL11278076 0.88 PTGS1 (0.60) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL4007604 0.87 ALDH1A1 (0.58) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL8792364 0.87 PTGS1 (0.52) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL1114395 0.86 PTGS1 (0.53) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL15449778 0.86 PTGS1 (0.53) PTGS1PGRADORA3SLC6A2PPARG
SCHEMBL5182481 0.86 LMNA (0.56) PTGS1PGRADORA3SLC6A2PPARG

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53053639-A None JP disclosed
US-20250154181-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2025-05-15 US disclosed
US-12173021-B2 Treprostinil prodrugs UNITED THERAPEUTICS CORPORATION (US) 2024-12-24 US disclosed
US-20240051979-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2024-02-15 US disclosed
US-11634443-B2 Treprostinil prodrugs UNITED THERAPEUTICS CORPORATION (US) 2023-04-25 US disclosed
EP-4017588-A1 TREPROSTINIL PRODRUGS United Therapeutics Corporation (US) 2022-06-29 EP disclosed
WO-2021041320-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2021-03-04 WO disclosed
US-20210054009-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2021-02-25 US disclosed
US-10570161-B2 Unique dual-action therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 US disclosed
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO disclosed
US-4223132-A Selective conversion of benzyl alcohol carboxylates to the free acid form SHIONOGI & CO., LTD. (JP) 1980-09-16 US disclosed
US-4150137-A ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1979-04-17 US disclosed
JP-S5353639-A NOVEL PHENYLPROPIONIC ACID ESTER DERIVATIVES HISAMITSU PHARMACEUT CO INC 1978-05-16 JP disclosed
JP-S05353639-A 0001-01-01 JP 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 (8 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-20250154181-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 PTGS1 127/4885PGR 143/4885ADORA3 751/4885
US-20120010168-A1 Unique Dual-Action Therapeutics ACHE, PDE1A, PDE1C PTGS1 28/4885PGR 1470/4885ADORA3 550/4885
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS ACHE, PDE1A, PDE1C PTGS1 28/4885PGR 1470/4885ADORA3 550/4885
US-20210054009-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 PTGS1 127/4885PGR 143/4885ADORA3 751/4885
US-20240051979-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 PTGS1 127/4885PGR 143/4885ADORA3 751/4885
US-12173021-B2 Treprostinil prodrugs TYMP, TK1, DCTPP1 PTGS1 127/4885PGR 143/4885ADORA3 751/4885
US-10570161-B2 Unique dual-action therapeutics ACHE, PDE1A, PDE1C PTGS1 28/4885PGR 1569/4885ADORA3 440/4885
US-11634443-B2 Treprostinil prodrugs TYMP, TK1, DCTPP1 PTGS1 127/4885PGR 143/4885ADORA3 751/4885

“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.