SCHEMBL1027269

SCHEMBL1027269

[C]#Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 4/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CHAT P28329 1/20 0.43
CYP1A2 P05177 6/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
GRM5 P41594 1/20 0.40
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL3150495 0.87 HPRT1 (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1031277 0.79 ALDH1A1 (0.41) CA1CA2ALDH1A1HSD17B10TSHR
SCHEMBL814962 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10804459 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL2776015 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL29661843 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1141298 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL18245066 0.78 CYP2A6 (0.54) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL6364668 0.77 CHAT (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL5014214 0.75 CHAT (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024481-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2024-07-02 US claimed
US-11827655-B2 Triplet-triplet annihilation upconversion system, and compositions and methods thereof for drug delivery UNIVERSITY OF MASSACHUSETTS (US) 2023-11-28 US claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
US-11608310-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2023-03-21 US claimed
US-20220002320-A1 TRIPLET-TRIPLET ANNIHILATION UPCONVERSION SYSTEM, AND COMPOSITIONS AND METHODS THEREOF FOR DRUG DELIVERY THE UNIVERSITY OF MASSACHUSETTS 2022-01-06 US claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
US-11078217-B2 Triplet-triplet annihilation upconversion system, and compositions and methods thereof for drug delivery UNIVERSITY OF MASSACHUSETTS (US) 2021-08-03 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
US-10988437-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2021-04-27 US claimed
WO-2010086385-A1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-08-05 WO claimed
WO-2010074625-A1 ACETYLENIC AROMATIC POLYETHER NEXAM CHEMICAL AB (SE) 2010-07-01 WO claimed
WO-2010071532-A1 ACETYLENIC PHENOL-ALDEHYDE RESIN NEXAM CHEMICAL AB (SE) 2010-06-24 WO claimed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO claimed
WO-2010030216-A1 ACETYLENIC POLY(ALKYLENE PHTHALATE) NEXAM CHEMICAL AB (SE) 2010-03-18 WO claimed
US-7611546-B2 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-11-03 US claimed
EP-1538148-B1 CHIRAL SENSOR JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP claimed
US-6395907-B1 Preparation of polyaromatic-ethynyl thermal setting agents VIRGINIA COMMONWEALTH UNIVERSITY 2002-05-28 US claimed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 US claimed
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 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 (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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 CA1 2606/4885CA2 2373/4885ALDH1A1 342/4885
US-10988437-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups PARN, PARG, PARP14 CA1 3535/4885CA2 2471/4885ALDH1A1 2827/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R CA1 2553/4885CA2 2187/4885ALDH1A1 409/4885
US-20220002320-A1 TRIPLET-TRIPLET ANNIHILATION UPCONVERSION SYSTEM, AND COMPOSITIONS AND METHODS THEREOF FOR DRUG DELIVERY TXN, TYMS, MTHFD1 CA1 1693/4885CA2 3257/4885ALDH1A1 1505/4885
US-11608310-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups PARN, PARG, PARP14 CA1 3535/4885CA2 2471/4885ALDH1A1 2827/4885
US-11827655-B2 Triplet-triplet annihilation upconversion system, and compositions and methods thereof for drug delivery TXN, TYMS, MTHFD1 CA1 1693/4885CA2 3257/4885ALDH1A1 1505/4885
US-11078217-B2 Triplet-triplet annihilation upconversion system, and compositions and methods thereof for drug delivery TXN, TYMS, MTHFD1 CA1 1693/4885CA2 3257/4885ALDH1A1 1505/4885
US-12024481-B1 Bis(aniline) compounds containing multiple substituents with carbon-carbon triple-bonded groups PARN, PARG, PARP14 CA1 3535/4885CA2 2471/4885ALDH1A1 2827/4885

“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.