SCHEMBL1402265

SCHEMBL1402265

Cc1ccc2ccc(S)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.70
CYP2A6 P11509 5/20 0.70
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL21898814 0.93 CYP1A2 (0.62) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL24060282 0.93 CYP1A2 (0.62) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL1402342 0.92 CYP1A2 (0.68) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL20809388 0.86 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL425085 0.84 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL29399131 0.84 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL332436 0.84 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL29540246 0.84 CYP1A2 (0.40) CYP1A2CYP2A6
Ammonia Solution, Strong SCHEMBL27919194 0.81 CYP2A6 (0.93) CYP1A2CYP2A6TDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL27326113 0.78 CYP1A2 (0.88) CYP1A2CYP2A6TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177216-A1 ORGANIC ELECTRIC ELEMENT INCLUDING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-09-21 WO disclosed
US-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 EP disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 EP disclosed
EP-2292597-B1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2015-03-04 EP disclosed
US-8697889-B2 Metal compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the resin MITSUI CHEMICALS, INC. (JP) 2014-04-15 US disclosed
EP-1813639-B1 METAL-CONTAINING COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2014-03-12 EP disclosed
EP-2006319-A9 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-07-08 EP disclosed
US-20090076208-A1 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS, INC. (JP) 2009-03-19 US disclosed
EP-2036951-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-03-18 EP disclosed
EP-2014700-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2009-01-14 EP disclosed
EP-2006319-A2 POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2008-12-24 EP disclosed
US-20080027198-A1 Metal-Containing Compound and Use Thereof MITSUI CHEMICALS, INC. (JP) 2008-01-31 US disclosed
US-20070191615-A1 Polymerizable compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-08-16 US disclosed
EP-1813639-A1 METAL-CONTAINING COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2007-08-01 EP disclosed
EP-1731547-A1 POLYMERIZABLE COMPOUNDS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-12-13 EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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 (3 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-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, ZFX, PPOX CYP1A2 523/4885CYP2A6 982/4885TDP1 2316/4885
US-20070191615-A1 Polymerizable compound and use thereof RPS4X, MLX, RPS4Y1 CYP1A2 3821/4885CYP2A6 3602/4885TDP1 4469/4885
US-20080027198-A1 Metal-Containing Compound and Use Thereof HSPH1, HSPA4L, PTCD3 CYP1A2 4171/4885CYP2A6 4430/4885TDP1 3938/4885

“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.