SCHEMBL3150495

SCHEMBL3150495

[C]#Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.58
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 2/20 0.50
TSHR P16473 1/20 0.50
PAX8 Q06710 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1B1 Q16678 2/20 0.43
HIF1A Q16665 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 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
SCHEMBL1027269 0.87 CA1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29661877 0.83 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL22288269 0.83 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1344272 0.79 CA1 (0.60) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1933777 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2854731 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30363731 0.79 CA1 (0.60) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL194524 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL5081427 0.79 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17530125 0.78 TRPM4 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1538148-B1 CHIRAL SENSOR JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
US-8722842-B2 Optical film and image display device NITTO DENKO CORPORATION (JP) 2014-05-13 US disclosed
US-8218937-B2 Optical film, image display device, diethynylfluorene, and polymer thereof NITTO DENKO CORPORATION (JP) 2012-07-10 US disclosed
US-20100110554-A1 OPTICAL FILM AND IMAGE DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2010-05-06 US disclosed
US-20100003490-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF NITTO DENKO CORPORATION (JP) 2010-01-07 US disclosed
US-7358403-B2 Chiral sensor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-04-15 US disclosed
EP-1538148-B1 CHIRAL SENSOR JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP disclosed
US-20050227366-A1 optically active compound having an unsaturated bond at an optically active binding site, wherein the unsaturated bond and a fluorescent substituent or a substituent capable of imparting fluorescence are united in a conjugated manner; capable of recognizing a chiral compound in a high sensitivity JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-10-13 US disclosed
EP-1538148-A1 CHIRAL SENSOR Japan Science and Technology Agency (JP) 2005-06-08 EP disclosed
JP-2005097230-A BISAMINOPHENOL DERIVATIVE SUMITOMO BAKELITE CO LTD 2005-04-14 JP 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 (4 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 HPRT1 2184/4885ALDH1A1 342/4885HSD17B10 1405/4885
US-20100003490-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF PDCD2L, FMNL1, MACF1 HPRT1 3819/4885ALDH1A1 2272/4885HSD17B10 147/4885
US-20050227366-A1 optically active compound having an unsaturated bond at an optically active binding site, wherein the unsaturated bond and a fluorescent substituent or a substituent capable of imparting fluorescence are united in a conjugated manner; capable of recognizing a chiral compound in a high sensitivity FASN, DBI, SCD HPRT1 2924/4885ALDH1A1 304/4885HSD17B10 406/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R HPRT1 2418/4885ALDH1A1 409/4885HSD17B10 1119/4885

“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.