SCHEMBL3369745

SCHEMBL3369745

CC(C)(Oc1ccccc1F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 1/20 0.60
PPARA Q07869 6/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CXCL8 P10145 1/20 0.44
PPARG P37231 5/20 0.42
MGLL Q99685 2/20 0.41
GAA P10253 1/20 0.41
PPARD Q03181 2/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL17186729 0.86 KDM4E (0.49) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL15116468 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL19388128 0.82 KMT2A (0.42) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL1417730 0.82 KDM4E (0.49) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL1044044 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL23519089 0.81 CXCL8 (0.46) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL15113294 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL1044701 0.80 KDM4E (0.58) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL1045767 0.79 KDM4E (0.62) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL6989689 0.79 HSD17B10 (0.62) KDM4EALDH1A1HSD17B10PPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026846-A Phenoxy aromatic acid ester derivative, preparation method and application thereof in pharmacy 江西中医药大学 2024-05-14 CN disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
EP-1066254-B1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS UNIV DUKE (US) 2005-05-25 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
US-6444840-B1 BONE DISORDERS; VISION DEFECTS THE PROCTER & GAMBLE CO. 2002-09-03 US disclosed
EP-1066254-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2001-01-10 EP disclosed
WO-1999050242-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-10-07 WO 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 (2 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG KDM4E 3788/4885ALDH1A1 3568/4885HSD17B10 4497/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 KDM4E 3572/4885ALDH1A1 3966/4885HSD17B10 2499/4885

“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.