Sugi Predict

Sugi Predict / Compounds / SCHEMBL3684740

SCHEMBL3684740

SCHEMBL3684740

CC(C)(C)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ACHE P22303 3/20 0.61
▸ SRD5A2 P31213 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ PBRM1 Q86U86 1/20 0.53
▸ RXRA P19793 1/20 0.53
▸ RXRB P28702 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ CXCR1 P25024 2/20 0.50
▸ CXCR2 P25025 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL548283 0.87 L3MBTL1 (0.61) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL27510569 0.86 ALDH1A1 (0.56) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL15685928 0.86 TDP1 (0.59) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL21468274 0.86 ACHE (0.54) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL30238332 0.85 L3MBTL1 (0.59) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL7488968 0.85 ATM (0.59) ATMTDP1L3MBTL1SRD5A2ALDH1A1
SCHEMBL28218363 0.84 POLB (0.64) ATMTDP1ACHESRD5A2ALDH1A1
SCHEMBL10029705 0.84 ATM (0.61) ATMTDP1L3MBTL1ACHESRD5A2
SCHEMBL179538 0.84 RXRA (0.66) TDP1ACHESRD5A2RXRARXRB
SCHEMBL7325996 0.84 L3MBTL1 (0.57) ATMTDP1L3MBTL1ACHESRD5A2

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
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 — — US disclosed
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-9595682-B2 Organic conductive materials and devices MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-03-14 — — US disclosed
US-9595682-B2 Organic conductive materials and devices MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-03-14 — — US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 — — US disclosed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 — — US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 — — US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 — — US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 — — US disclosed
CN-1202095-C Heteroaromatic ring compounds SUMITOMO PHARMA (JP) 2005-05-18 — — CN disclosed
CN-1361770-A Heteroaromatic ring compounds SUMITOMO PHARMA (JP) 2002-07-31 — — CN disclosed
EP-0340169-B1 Chromogenic lactone compounds of benzopyrano-2H-pyrazoles CIBA GEIGY AG (CH) 1994-11-30 — — EP disclosed
US-4933448-A FOR PRESSURE OR HEAT SENSITIVE RECORDING MATERIALS CIBA-GEIGY CORPORATION (US) 1990-06-12 — — US disclosed
EP-0340169-A2 Chromogenic lactone compounds of benzopyrano-2H-pyrazoles CIBA-GEIGY AG (CH) 1989-11-02 — — EP disclosed
US-4603202-A PRESSURE SENSITIVE, HEAT SENSITIVE BASF AKTIENGESELLSCHAFT (DE) 1986-07-29 — — 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 (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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 ATM 2503/4885TDP1 2969/4885L3MBTL1 1154/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS ATM 3176/4885TDP1 4016/4885L3MBTL1 4613/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 ATM 3191/4885TDP1 4117/4885L3MBTL1 4407/4885
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators GPR68, GPR88, GPR55 ATM 4700/4885TDP1 4850/4885L3MBTL1 4869/4885
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH ATM 4797/4885TDP1 4243/4885L3MBTL1 4157/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 ATM 3191/4885TDP1 4117/4885L3MBTL1 4407/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ATM 3115/4885TDP1 3959/4885L3MBTL1 2007/4885
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS GPR68, GPR88, GPR55 ATM 4700/4885TDP1 4850/4885L3MBTL1 4869/4885

“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.