SCHEMBL533954

SCHEMBL533954

Oc1[c]ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
HPRT1 P00492 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
PAK1 Q13153 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NQO2 P16083 1/20 0.37
LDHA P00338 1/20 0.36

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
SCHEMBL1941944 0.80 ALDH1A1 (0.40) CYP1A2HSD17B10ALDH1A1POLBCYP2C19
SCHEMBL114219 0.75 ALDH1A1 (0.48) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL7565940 0.74 TRPM4 (0.38) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL2145668 0.73
SCHEMBL5031460 0.73 MCL1 (0.40) CYP1A2HSD17B10TSHRTDP1HIF1A
SCHEMBL5034793 0.73 CYP1A2 (0.38) CYP1A2HSD17B10ALDH1A1TSHRTDP1
SCHEMBL10877443 0.73 CYP1A2 (0.43) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL232693 0.71 CYP2A6 (0.43) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL232112 0.71 CYP2A6 (0.46) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL219753 0.71 CYP2A6 (0.46) CYP1A2HSD17B10ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081337-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY (US) 2021-04-29 WO claimed
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP claimed
US-8530476-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US claimed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US claimed
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US claimed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP claimed
US-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 US claimed
EP-0210331-B1 WATER SOLUBLE MONO AND DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP claimed
EP-0118881-B1 BINDER-MIXTURES FOR OPTICAL RECORDING LAYERS AND ELEMENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-09-14 EP claimed
US-4703111-A Water-soluble compounds containing one or two (nitrophenylamino)-phenylamino-chlorotriazinylamino groups, the nitrophenylamino being additionally substituted by a fiber-reactive group of the vinylsulfonyl series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT A CORP. OF GERMANY (DE) 1987-10-27 US claimed
EP-0127726-B1 HYDROXAMIC ACIDS, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS VEB Fahlberg-List Magdeburg (DD) 1987-08-26 EP claimed
US-4670469-A ANTIASTHMATIC AGENTS; CARDIOVASCULAR DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1987-06-02 US claimed
US-4626361-A Binder-mixtures for optical recording layers and elements EASTMAN KODAK COMPANY (US) 1986-12-02 US claimed
US-4499165-A COMPATABILITY; STABILITY; LASERS; DATA PROCESSING EASTMAN KODAK COMPANY (US) 1985-02-12 US claimed
EP-0127726-A1 Hydroxamic acids, their preparation and their use in pharmaceutical compositions VEB Fahlberg-List Magdeburg (DD) 1984-12-12 EP claimed
EP-0118881-A2 Binder-mixtures for optical recording layers and elements EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-09-19 EP claimed
US-3951944-A Fiber-reactive, water-soluble disazo dyes containing an N-B-sulfoethylamide group HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-20 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 (5 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-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY ESR2, GPER1, CYP19A1 CYP1A2 111/4885HSD17B10 183/4885ALDH1A1 622/4885
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, APEH CYP1A2 942/4885HSD17B10 762/4885ALDH1A1 635/4885
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 CYP1A2 3532/4885HSD17B10 2284/4885ALDH1A1 592/4885
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 CYP1A2 769/4885HSD17B10 2223/4885ALDH1A1 1034/4885
US-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R CYP1A2 146/4885HSD17B10 1149/4885ALDH1A1 1558/4885

“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.