SCHEMBL66018

SCHEMBL66018

CC(C)(C)C(C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ATM Q13315 1/20 0.61
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL17357501 1.00 L3MBTL1 (0.61) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL2416799 0.84 ATM (0.59) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL8975800 0.84 L3MBTL1 (0.59) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL23886612 0.84 L3MBTL1 (0.50) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL11232929 0.84 L3MBTL1 (0.50) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL23886615 0.84 L3MBTL1 (0.50) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL1706949 0.83 ATM (0.58) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL1703642 0.83 ATM (0.58) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL7836922 0.83 ATM (0.49) L3MBTL1ATMSRCCYP2D6LMNA
SCHEMBL16682784 0.83 SRC (0.46) L3MBTL1ATMSRCCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102977098-B Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2015-04-01 CN claimed
CN-102977098-A Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2013-03-20 CN claimed
CN-108368099-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2021-11-12 CN disclosed
CN-110330420-B Process for preparing acids with different substituents 湖南大学 2020-07-10 CN disclosed
CN-110330420-A The preparation method of the acid of different substituents 湖南大学 2019-10-15 CN disclosed
EP-3390399-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-10-24 EP disclosed
CN-107923120-A Composition for reducing malodour and use thereof 阿吉莱克斯香料和香水公司 2018-04-17 CN disclosed
WO-2017102006-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-06-22 WO disclosed
EP-2897960-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS NOTCH INHIBITORS Bristol-Myers Squibb Company (US) 2015-07-29 EP disclosed
CN-102977098-B Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2015-04-01 CN disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
CN-1927809-A Preparation method of t-butylphenyl acetic acid UNIV SHANGHAI (CN) 2007-03-14 CN disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP 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 (1 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 L3MBTL1 4353/4885ATM 614/4885SRC 737/4885

“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.