SCHEMBL5610103

SCHEMBL5610103

CCCc1ccc2ccccc2c1[S]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL7528799 0.89 GAA (0.42) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1402331 0.84 CYP2A6 (0.44) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5252480 0.78 TSHR (0.52) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL774762 0.78 KDM4E (0.50) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL8613108 0.77 ATM (0.49) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5252476 0.77 ATM (0.45) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6243050 0.77 — —
SCHEMBL3568359 0.77 ATM (0.49) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11018809 0.77 KDM4E (0.48) ATMALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11018806 0.77 KDM4E (0.48) ATMALDH1A1CYP2A6TSHRHSD17B10

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
CN-113711113-B Optical material, polymerizable composition for optical material, plastic lens, goggles, infrared sensor, and infrared camera 三井化学株式会社 2023-07-28 — — CN disclosed
CN-113711113-A Optical material, polymerizable composition for optical material, plastic lens, eyewear, infrared sensor, and infrared camera 三井化学株式会社 2021-11-26 — — CN disclosed
WO-2020218614-A1 OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, PLASTIC LENS, EYEWEAR, INFRARED SENSOR, AND INFRARED CAMERA 三井化学株式会社 2020-10-29 — — WO disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 — — US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 — — EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 — — EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 — — US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 — — US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 — — US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 — — EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 — — US disclosed
EP-0928816-B1 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS INC (JP) 2002-03-06 — — EP disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 — — EP disclosed
US-6093832-A NEAR INFRARED RAY ABSORBING MATERIAL OR A LIGHT-HEAT CONVERSION MATERIAL YAMAMOTO CHEMICALS, INC. (JP) 2000-07-25 — — US disclosed
US-5973140-A Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS, INC (JP) 1999-10-26 — — US disclosed
EP-0928816-A2 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof Yamamoto Chemicals, Inc. (JP) 1999-07-14 — — EP 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ATM 1844/4885ALDH1A1 2128/4885CYP2A6 3649/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 ATM 311/4885ALDH1A1 3508/4885CYP2A6 769/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ATM 1844/4885ALDH1A1 2128/4885CYP2A6 3649/4885

“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.

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