SCHEMBL2736378

SCHEMBL2736378

Cc1cc(C(C)C)ccc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
NTRK2 Q16620 1/20 0.43
LMNA P02545 2/20 0.41
PTGS1 P23219 2/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TTR P02766 3/20 0.38
LTA4H P09960 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
STK39 Q9UEW8 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL20286611 0.86 LMNA (0.46) LMNAPTGS1TRPA1CACNA1CL3MBTL1
Hydrochloric Acid SCHEMBL22158870 0.85 NTRK1 (0.41) NTRK1IGF1RFGFR1NTRK2PTGS1
Hydrochloric Acid SCHEMBL22158872 0.85 NTRK1 (0.41) NTRK1IGF1RFGFR1NTRK2PTGS1
SCHEMBL23625170 0.85 LMNA (0.50) LMNAPTGS1TRPA1CACNA1CL3MBTL1
SCHEMBL22184958 0.84 NPBWR1 (0.43) LMNAPTGS1TRPA1CACNA1CLTA4H
SCHEMBL13026431 0.84 LMNA (0.42) LMNAPTGS1TRPA1CACNA1CL3MBTL1
SCHEMBL10452967 0.82 MAOB (0.46) LMNAPTGS1TRPA1CACNA1CCYP3A4
SCHEMBL11584107 0.82 PTGS1 (0.39) LMNAPTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14470905 0.81 HTR2A (0.42) PTGS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2736379 0.81 FFAR1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 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 (2 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A NTRK1 3048/4885IGF1R 376/4885FGFR1 270/4885
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR NTRK1 277/4885IGF1R 555/4885FGFR1 74/4885

“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.