SCHEMBL6013604

SCHEMBL6013604

Cc1ccc2cscc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.60
CYP1A2 P05177 6/20 0.60
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.40
NCK1 P16333 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 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
SCHEMBL29389285 0.76 CYP1A2 (1.00) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL308248 0.76 CYP1A2 (1.00) CYP2A6CYP1A2TDP1ALDH1A1NCK1
M-Xylene SCHEMBL3470864 0.75 ACHE (0.57) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28805667 0.74 CYP2A6 (0.93) CYP2A6CYP1A2TDP1ALDH1A1NCK1
Methane SCHEMBL28761144 0.74 CYP1A2 (0.93) CYP2A6CYP1A2TDP1ALDH1A1NCK1
Water SCHEMBL27539226 0.74 CYP1A2 (0.93) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL10882769 0.74 CYP1A2 (0.93) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL29399131 0.74 CYP1A2 (1.00) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL425085 0.74 CYP1A2 (1.00) CYP2A6CYP1A2TDP1ALDH1A1NCK1
SCHEMBL10882775 0.74 CYP1A2 (0.93) CYP2A6CYP1A2TDP1ALDH1A1NCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269090-B1 Highly conductive polymer composition and process for producing the same SHOWA DENKO KK (JP) 1994-02-02 EP claimed
US-4933106-A NEUTRALIZED POLYISOTHIANAPHTHENE OR DERIVATIVE AND ANIONIC POLYMER ELECTROLYTE DOPANT SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-06-12 US claimed
US-4853380-A REACTING SULFONATED HETEROCYCLIC SULFUR COMPOUNDS WITH DIAMINES OF PLATINUM NITRATE INTERNATIONAL PHARMACEUTICAL PRODUCTS (US) 1989-08-01 US claimed
US-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 US disclosed
EP-4129407-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
EP-3832763-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR MAGNESIUM BATTERIES FUJIFILM Wako Pure Chemical Corporation (JP) 2021-06-09 EP disclosed
WO-2020203594-A1 FLUORENE DERIVATIVE AND USE THEREOF 日産化学株式会社 2020-10-08 WO disclosed
US-10727534-B2 Electrolyte solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-07-28 US disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
EP-1728256-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE Showa Denko K.K. (JP) 2006-12-06 EP disclosed
WO-2005091309-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed
EP-0269090-B1 Highly conductive polymer composition and process for producing the same SHOWA DENKO KK (JP) 1994-02-02 EP disclosed
US-4933106-A NEUTRALIZED POLYISOTHIANAPHTHENE OR DERIVATIVE AND ANIONIC POLYMER ELECTROLYTE DOPANT SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-06-12 US disclosed
US-4853380-A REACTING SULFONATED HETEROCYCLIC SULFUR COMPOUNDS WITH DIAMINES OF PLATINUM NITRATE INTERNATIONAL PHARMACEUTICAL PRODUCTS (US) 1989-08-01 US 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 (6 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-10727534-B2 Electrolyte solution containing magnesium ions MLX, PRDX1, PRDX6 CYP2A6 389/4885CYP1A2 815/4885TDP1 2910/4885
US-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE ORC3, OR10J3, ESR1 CYP2A6 265/4885CYP1A2 143/4885TDP1 406/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP2A6 42/4885CYP1A2 6/4885TDP1 945/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB CYP2A6 1485/4885CYP1A2 1829/4885TDP1 988/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CYP2A6 3737/4885CYP1A2 2103/4885TDP1 3474/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CYP2A6 1329/4885CYP1A2 394/4885TDP1 3389/4885

“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.