SCHEMBL906396

SCHEMBL906396

NC(=O)CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SLC1A1 P43005 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL22266190 0.96 TSHR (0.48) TSHRSMN1; SMN2HTTPARP10ALDH1A1
SCHEMBL2079376 0.91 TSHR (0.50) TSHRSMN1; SMN2HTTPARP10ALDH1A1
SCHEMBL6167903 0.89 EPHX2 (0.53) TSHRSMN1; SMN2HTTLMNATDP1
SCHEMBL6382531 0.87 EPHX2 (0.56) TSHRSMN1; SMN2HTTLMNATDP1
Hydrochloric Acid SCHEMBL3236215 0.87 EPHX2 (0.52) TSHRSMN1; SMN2HTTLMNATDP1
SCHEMBL7708032 0.84 TSHR (0.56) TSHRSMN1; SMN2HTTALDH1A1SLC1A1
SCHEMBL508419 0.84 TSHR (0.56) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL3820690 0.83 TDP1 (0.52) TSHRSMN1; SMN2ALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL4589727 0.82 TSHR (0.54) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL8859560 0.82 SMN1; SMN2 (0.47) TSHRSMN1; SMN2HTTPARP10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US claimed
EP-3365819-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 Mangosuthu University Of Technology (ZA) 2018-08-29 EP claimed
WO-2017070719-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2017-04-27 WO claimed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 US claimed
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
CN-119365502-A Polymer emulsion, and one-part thermosetting resin composition, two-part thermosetting resin composition, paint, resin cured film, and coating film using the same 株式会社力森诺科 2025-01-24 CN disclosed
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 US disclosed
CN-108701171-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-06-10 CN disclosed
CN-108779085-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-03-22 CN disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-0961766-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES Rhone Poulenc Agro (FR) 1999-12-08 EP disclosed
WO-1998034898-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRO (FR) 1998-08-13 WO disclosed
EP-0821667-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-02-04 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed
WO-1996033164-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1996-10-24 WO disclosed
EP-0731797-A1 PARAMAGNETIC CHELATES FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSIS BRACCO S.p.A. (IT) 1996-09-18 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 (4 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-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 TSHR 2259/4885SMN1; SMN2 4592/4885HTT 4230/4885
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 TSHR 1110/4885SMN1; SMN2 4692/4885HTT 4549/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 TSHR 1110/4885SMN1; SMN2 4692/4885HTT 4549/4885
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 TSHR 4409/4885SMN1; SMN2 1356/4885HTT 1192/4885

“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.