SCHEMBL578291

SCHEMBL578291

CCC(C)(C)c1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CNR2 P34972 2/20 0.36
HRH3 Q9Y5N1 11/20 0.35
MAOB P27338 8/20 0.35
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL27480853 0.98 NPC1 (0.42) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL15266429 0.82 SHBG (0.36) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL2447289 0.81 CNR2 (0.39) CNR2TAAR1
SCHEMBL779443 0.81 NPC1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL1943661 0.80 ALDH1A1 (0.31)
SCHEMBL6891134 0.80 ESR1 (0.41) MAPT
SCHEMBL317457 0.78 CNR1 (0.38) SMN1; SMN2CNR2TAAR1
SCHEMBL16035570 0.78 TAAR1 (0.33) TAAR1
SCHEMBL21684968 0.78 TAAR1 (0.33) TAAR1
SCHEMBL3596579 0.78 TAAR1 (0.60) NPC1RAB9AMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF (CHINA) COMPANY LIMITED (CN) 2024-07-04 US claimed
EP-3726636-B1 ELECTROLYTE SOLUTION FOR NONAQUEOUS ELECTROLYTE BATTERIES AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME CENTRAL GLASS CO LTD (JP) 2024-06-26 EP claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-115368630-B Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2024-04-09 CN claimed
EP-4330226-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF SE (DE) 2024-03-06 EP claimed
CN-117203185-A Diisocyanate stabilizer, use thereof and diisocyanate composition 巴斯夫欧洲公司 2023-12-08 CN claimed
CN-116332978-B Organic compound, preparation method thereof and organic electroluminescent device comprising organic compound 吉林奥来德光电材料股份有限公司 2023-08-29 CN claimed
CN-111527636-B Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2023-08-15 CN claimed
CN-111433962-B Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2023-07-14 CN claimed
CN-116332978-A Organic compound, preparation method thereof and organic electroluminescent device comprising organic compound 吉林奥来德光电材料股份有限公司 2023-06-27 CN claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
WO-2000016624-A1 SAFE AND EFFECTIVE BIOFILM INHIBITORY COMPOUNDS AND HEALTH-RELATED USES THEREOF PHYCOGEN, INC. (US) 2000-03-30 WO claimed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US claimed
EP-0934292-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-11 EP claimed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO claimed
US-5296579-A From (hydro)sulfide, polyhalogenated aromatic compound and a mercaptan PHILLIPS PETROLEUM COMPANY (US) 1994-03-22 US claimed
EP-0568344-A1 Fluoran compounds and process for their production FUJI PHOTO FILM CO., LTD. (JP) 1993-11-03 EP claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed
US-4134877-A Flame retardant phosphoramidate compositions MONSANTO COMPANY (US) 1979-01-16 US claimed
US-4089972-A Organotin sulfinates as insecticides and acaricides UNIROYAL, INC. (US) 1978-05-16 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 NPC1 1553/4885RAB9A 2400/4885MAPT 3454/4885
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION TST, DDT, PAH NPC1 3821/4885RAB9A 3766/4885MAPT 797/4885

“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.