SCHEMBL9618396

SCHEMBL9618396

Cc1c(C(C)C)cccc1-n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40

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
SCHEMBL10044887 0.85 IDO1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29250836 0.83 CYP3A4 (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20150092 0.80 ALOX15 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11073181 0.80 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21863515 0.80 GABRA1 (0.38) CYP3A4CYP1A2ALDH1A1LMNAMAPT
SCHEMBL928068 0.80 TSHR (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1819866 0.78 TSHR (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22797014 0.77 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8333563 0.77 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28362336 0.77 TSHR (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483953-A1 1-Isopropyl-2-tolylimidazole as an epoxy resin curative TEXACO CHEMICAL COMPANY (US) 1992-05-06 EP claimed
US-5086155-A Lengthy pot life at ambient temperatures; stability; resistance to heat, chemicals and moisture TEXACO CHEMICAL COMPANY (US) 1992-02-04 US claimed
JP-4298524-A None JP disclosed
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 US disclosed
JP-H04298524-A EPOXY RESIN COMPOSITION AND ITS CURING METHOD TEXACO CHEM CO 1992-10-22 JP disclosed
EP-0483953-A1 1-Isopropyl-2-tolylimidazole as an epoxy resin curative TEXACO CHEMICAL COMPANY (US) 1992-05-06 EP disclosed
EP-0483953-A1 1-Isopropyl-2-tolylimidazole as an epoxy resin curative TEXACO CHEMICAL COMPANY (US) 1992-05-06 EP disclosed
EP-0483953-A1 1-Isopropyl-2-tolylimidazole as an epoxy resin curative TEXACO CHEMICAL COMPANY (US) 1992-05-06 EP disclosed
US-5086155-A Lengthy pot life at ambient temperatures; stability; resistance to heat, chemicals and moisture TEXACO CHEMICAL COMPANY (US) 1992-02-04 US disclosed
US-5086155-A Lengthy pot life at ambient temperatures; stability; resistance to heat, chemicals and moisture TEXACO CHEMICAL COMPANY (US) 1992-02-04 US disclosed
US-5086155-A Lengthy pot life at ambient temperatures; stability; resistance to heat, chemicals and moisture TEXACO CHEMICAL COMPANY (US) 1992-02-04 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 (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-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP3A4 4332/4885CYP1A2 4427/4885CYP2D6 4442/4885

“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.