SCHEMBL689246

SCHEMBL689246

CCCCOc1cc(C)c(O)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ALOX5 P09917 8/20 0.46
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
RARB P10826 1/20 0.38
LTA4H P09960 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR5A1 Q13285 1/20 0.38

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
SCHEMBL30367452 1.00 ESR1 (0.47) ESR1ALOX5PTGS1PTGS2KDM4E
Hx-1171 SCHEMBL29375871 0.93 ESR1 (0.50) ESR1ALOX5NR5A1
Hx-1171 SCHEMBL688955 0.93 ESR1 (0.50) ESR1ALOX5NR5A1
SCHEMBL25329980 0.91 PTGS1 (0.45) ESR1ALOX5PTGS1PTGS2KDM4E
SCHEMBL5588257 0.89 ESR1 (0.47) ESR1ALOX5PTGS1PTGS2RARB
SCHEMBL30356518 0.86 ESR1 (0.45) ESR1ALOX5PTGS1PTGS2RARB
SCHEMBL16069600 0.86 ESR1 (0.42) ESR1ALOX5KDM4EALDH1A1LMNA
SCHEMBL25329401 0.84 ESR1 (0.44) ESR1ALOX5PTGS1PTGS2TP53
SCHEMBL24784358 0.82 TSHR (0.41) ESR1ALOX5KDM4EALDH1A1MAPT
SCHEMBL4449475 0.82 ALDH1A1 (0.42) ESR1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
CN-118108589-A Preparation method of vitamin E intermediate 2,3, 5-trimethylbenzoquinone 浙江新和成药业有限公司 2024-05-31 CN disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-3287128-A1 CHRONIC RESPIRATORY DISEASE THERAPEUTIC AGENT AND CARDIAC FIBRILLATION SUPPRESSING COMPOSITION NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2018-02-28 EP disclosed
US-20180049996-A1 THERAPEUTIC AGENT FOR CHRONIC RESPIRATORY DISEASE AND COMPOSITION FOR INHIBITING CARDIAC FIBROSIS NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2018-02-22 US disclosed
EP-2052719-B1 Curative drug for neurodegenerative diseases NIPPON HYPOX LAB INC (JP) 2013-01-16 EP disclosed
EP-2110127-B1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LAB INC (JP) 2012-02-29 EP disclosed
US-7847132-B2 Hepatic fibrosis inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2010-12-07 US disclosed
US-20100184858-A1 Hepatic fibrosis inhibitor BIOTOXTECH CO., LTD (KR) 2010-07-22 US disclosed
US-20100160432-A1 Curative drug for neurodegenerative diseases SUGIYAMA SATORU 2010-06-24 US disclosed
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-29 US disclosed
EP-2110127-A1 Hepatic Fibrosis Inhibitor NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-10-21 EP disclosed
EP-2052719-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-29 EP disclosed
US-20090105339-A1 Curative drug for neurodegenerative diseases NIPPON HYPOX LABORATORIES INCORPORATED (JP) 2009-04-23 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-20100184858-A1 Hepatic fibrosis inhibitor HDGF, HAVCR2, FABP1 ESR1 4553/4885ALOX5 1889/4885PTGS1 68/4885
US-20180049996-A1 THERAPEUTIC AGENT FOR CHRONIC RESPIRATORY DISEASE AND COMPOSITION FOR INHIBITING CARDIAC FIBROSIS TNNI3, TNNT2, MMP1 ESR1 4190/4885ALOX5 251/4885PTGS1 26/4885
US-20090105339-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885ALOX5 1284/4885PTGS1 986/4885
US-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ESR1 3959/4885ALOX5 1518/4885PTGS1 474/4885
US-20100160432-A1 Curative drug for neurodegenerative diseases HTT, SNCA, NQO1 ESR1 4628/4885ALOX5 1284/4885PTGS1 986/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885ALOX5 560/4885PTGS1 1/4885
US-20090270654-A1 HEPATIC FIBROSIS INHIBITOR HDGF, HAVCR2, FABP1 ESR1 4553/4885ALOX5 1889/4885PTGS1 68/4885

“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.