SCHEMBL42163

SCHEMBL42163

[O]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.42
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL444515 0.84 TSHR (0.48) TSHRCA1CA2CA5ACA9
SCHEMBL2335365 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL4269900 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL2462232 0.76 KIF11 (0.36) KCNN4ALDH1A1TSHRMAPK1MAPT
SCHEMBL10827620 0.76 KCNN4 (0.45) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL207978 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL240161 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL11686299 0.73 TSHR (0.58) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL424619 0.73 TSHR (0.58) KCNN4ALDH1A1TSHRCYP1A2PTPN1
SCHEMBL7381727 0.73 TSHR (0.58) KCNN4ALDH1A1TSHRCYP1A2PTPN1

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 1094 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317970-A Synthesis of 2' acetyl-ester protected nucleosides 兆维生物科技公司 2024-07-09 CN claimed
CN-115650827-B Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2024-03-15 CN claimed
WO-2023179773-A1 BICYCLIC HETEROCYCLES AND THEIR LIGANDS FOR TARGETED DELIVERY OF THERAPEUTIC AGENTS HANSOH BIO LLC (US) 2023-09-28 WO claimed
CN-106459021-B Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-04-07 CN claimed
CN-115650827-A Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2023-01-31 CN claimed
CN-115651043-A Preparation method of anthracycline derivative 戊言医药科技(上海)有限公司 2023-01-31 CN claimed
CN-113613730-A Quinoline carboxamide derivative and process for producing intermediate for producing same 株式会社益力多本社 2021-11-05 CN claimed
CN-113429307-A Preparation method and application of stable isotope labeled glutamic acid and glutamic acid derivative 深圳鼎邦生物科技有限公司 2021-09-24 CN claimed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
US-4405530-A Process for preparing fluorinated amino-nitriles MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-20 US claimed
US-4385177-A Cephalosporins having a carbamoylalkoxyiminoarylacetamido group at 7-position GLAXO LABORATORIES, LTD. (GB) 1983-05-24 US claimed
EP-0074861-A1 Aminocyclopentane esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1983-03-23 EP claimed
EP-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP claimed
US-4179451-A HYPOTENSIVE, ANTIULCER, BRONCHODILATOR, ANTICONVULSANTS OR ANTIMICROBIAL AGENTS AMERICAN CYANAMID COMPANY (US) 1979-12-18 US claimed
US-4143037-A THIOHYDRAZOAZETIDINONES SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-03-06 US claimed
US-4064173-A 9,10-Seco-steroids HOFFMANN-LA ROCHE, INC. (US) 1977-12-20 US claimed
US-4045490-A 9,10-Seco-steroid preparation HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US claimed
US-4036835-A Process for preparing cephalosporins SOCIETA' FARMACEUTICI ITALIA (IT) 1977-07-19 US claimed
US-4012381-A Process for preparing cephalosporins and intermediates SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1977-03-15 US claimed

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-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN KCNN4 2383/4885ALDH1A1 1136/4885TSHR 4256/4885

“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.