SCHEMBL325648

SCHEMBL325648

Cc1cc(Cl)ccc1OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.60
KDM1A O60341 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL8605474 0.86 SCN4A (0.66) SCN4AKDM1AALDH1A1TSHRHTR2A
SCHEMBL20804852 0.85 KDM1A (0.51) SCN4AKDM1AALDH1A1HTR2AGAA
SCHEMBL9967704 0.83 KDM1A (0.56) KDM1AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3032643 0.81 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2GAATP53
SCHEMBL26758033 0.81 KDM4E (0.55) SCN4AALDH1A1TSHRHTR2AHTR2C
SCHEMBL4883831 0.80 TDP1 (0.62) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL29435277 0.80 TDP1 (0.62) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL358044 0.80 KDM1A (0.57) SCN4AKDM1AALDH1A1TSHRLMNA
SCHEMBL13347438 0.80 KDM1A (0.54) KDM1AALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3727775 0.80 KDM1A (0.54) SCN4AKDM1AALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023092188-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-06-01 WO disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041590-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
EP-2099782-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO disclosed
WO-2008074834-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
WO-2008074834-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO 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-20100041590-A1 Compounds SCD, SCD5, CYP11B2 SCN4A 820/4885KDM1A 2650/4885ALDH1A1 603/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 SCN4A 2319/4885KDM1A 2916/4885ALDH1A1 1131/4885
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SCN4A 3825/4885KDM1A 1174/4885ALDH1A1 458/4885

“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.