SCHEMBL3900328

SCHEMBL3900328

S=C1C=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
HK1 P19367 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
MAOA P21397 3/20 0.33
MAOB P27338 2/20 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
SCHEMBL8370915 0.98 PARP1 (0.38) PARP1CA1CA2TRPA1MAPT
SCHEMBL31586332 0.82 TRPA1 (0.50) PARP1CA1CA2TRPA1MAPT
SCHEMBL283346 0.82 TRPA1 (0.50) PARP1CA1CA2TRPA1MAPT
SCHEMBL27986120 0.75 PARP1 (0.41) PARP1CA1CA2TRPA1MAPT
SCHEMBL23581855 0.71 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL10546236 0.71 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL10546234 0.71 CA1 (0.42) PARP1CA1CA2TRPA1MAPT
SCHEMBL23581853 0.71 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL461295 0.71 GSK3A (0.46) PARP1CA1CA2TRPA1MAPT
SCHEMBL2161394 0.71 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110506235-B Blue photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2023-11-21 CN disclosed
CN-116655504-A Preparation method of diaryl sulfide compound 浙江扬帆新材料股份有限公司 2023-08-29 CN disclosed
US-11726404-B2 Spontaneous-emission type photosensitive resin composition, color filter manufactured using same, and image display apparatus DONGWOO FINE-CHEM CO., LTD. (KR) 2023-08-15 US disclosed
CN-109844640-B Self-emission type photosensitive resin composition, color filter and image display device manufactured using the same 东友精细化工有限公司 2022-06-28 CN disclosed
CN-109426071-B Blue photosensitive resin composition, color filter and image display device 东友精细化工有限公司 2022-02-25 CN disclosed
CN-111320978-A Quantum dots and applications thereof 东友精细化工有限公司 2020-06-23 CN disclosed
US-20190278173-A1 SPONTANEOUS-EMISSION TYPE PHOTOSENSITIVE RESIN COMPOSITION, COLOR FILTER MANUFACTURED USING SAME, AND IMAGE DISPLAY APPARATUS DONGWOO FINE-CHEM CO., LTD. (KR) 2019-09-12 US disclosed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
EP-1831728-B1 DISPLAYS HAVING A HIGH REFRACTIVE INDEX, DURABLE HARDCOAT LAYER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
US-7491441-B2 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-17 US disclosed
EP-1831728-A2 HIGH REFRACTIVE INDEX, DURABLE HARD COATS 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed
CN-1274755-C Metal-containing monomer dissolved mixture, metal-containing resin and antifouling paint composition MITSUBISHI RAYON CO (JP) 2006-09-13 CN disclosed
WO-2006073773-A2 HIGH REFRACTIVE INDEX, DURABLE HARD COATS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed
US-20060147702-A1 High refractive index, durable hard coats 3M INNOVATIVE PROPERTIES COMPANY 2006-07-06 US disclosed
US-6541659-B1 Reacting anhydride with active-hydrogen-containing compound in presence of vanadyl salt catalyst to obtain high yield of acyl substitution reaction product with high chemoselectivity NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2003-04-01 US disclosed
EP-1114029-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-11 EP disclosed
WO-2000015614-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-23 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 (1 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 PARP1 3873/4885CA1 5/4885CA2 3/4885

“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.