SCHEMBL17462

SCHEMBL17462

CCC1(CO)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.31

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
SCHEMBL14176589 1.00 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL18262 0.97
SCHEMBL18353 0.92
SCHEMBL178384 0.85
Methyl Alcohol SCHEMBL28179853 0.82 ALDH1A1 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
Methyl Alcohol SCHEMBL27831139 0.82 ALDH1A1 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15187 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5673171 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL153517 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22444527 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480937-B Liquid crystal compound, liquid crystal composition, liquid crystal display element, and liquid crystal display 石家庄诚志永华显示材料有限公司 2024-04-02 CN disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3576743-B1 5-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-5-AZASPIRO[2 5]OCTANE-8-CARBOXYLIC ACID DERIVATIVES AS JAK KINASE INHIBITORS LEO PHARMA AS (DK) 2023-01-18 EP disclosed
CN-112859516-A Material for forming organic film, method for forming pattern, and polymer 信越化学工业株式会社 2021-05-28 CN disclosed
CN-112480937-A Liquid crystal compound, liquid crystal composition, liquid crystal display element, and liquid crystal display 石家庄诚志永华显示材料有限公司 2021-03-12 CN disclosed
US-10703882-B2 Plastic composition, production method, and use of same ATP AICHER + TROBS PRODUKTENTWICKLUNG GMBH (DE) 2020-07-07 US disclosed
EP-3510092-B1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP AICHER TROEBS PRODUKTENTWICKLUNG GMBH (DE) 2020-03-04 EP disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
EP-3134396-B1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-18 EP disclosed
EP-3510092-A1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP Aicher + Tröbs Produktentwicklung GmbH (DE) 2019-07-17 EP disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
CN-109207159-A A kind of liquid-crystal compounds of negative dielectric anisotropic and the preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2019-01-15 CN disclosed
WO-2018141587-A1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP Aicher + Tröbs Produktentwicklung GmbH (DE) 2018-08-09 WO disclosed
CN-105263490-B Substituted triazolopyridines and methods of use 基因泰克公司 2018-05-22 CN disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
US-4231915-A HEAT RESISTANCE, DIELECTRICS, GOOD GELLING AND TENSILE STRENGTH CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1980-11-04 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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 USP2 3841/4885ALDH1A1 3680/4885LMNA 3360/4885
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 USP2 1588/4885ALDH1A1 2580/4885LMNA 1351/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 USP2 3288/4885ALDH1A1 1598/4885LMNA 816/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 USP2 3288/4885ALDH1A1 1598/4885LMNA 816/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 USP2 3288/4885ALDH1A1 1598/4885LMNA 816/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B USP2 3731/4885ALDH1A1 3615/4885LMNA 3843/4885

“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.