SCHEMBL12376772

SCHEMBL12376772

CC(C)(C)n1ccc(Cc2ccccc2)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CALM1 P0DP23 1/20 0.40
IDH1 O75874 10/20 0.40
MEN1 O00255 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
HNF4A P41235 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28817384 0.83 CALM1 (0.40) KMT2ACALM1IDH1MEN1MTNR1A
SCHEMBL14196926 0.75 MAPK14 (0.61)
SCHEMBL12040287 0.72 MCHR1 (0.41) IDH1
SCHEMBL17069922 0.68 CALM1 (0.41) CALM1IDH1LMNACYP3A4
SCHEMBL782929 0.68 LMNA (0.37) KMT2AMEN1ATMLMNA
SCHEMBL22402990 0.67 CA12 (0.38) KMT2AMEN1ATM
SCHEMBL22403089 0.67 HSP90AA1 (0.31) KMT2AMEN1
Diphenylmethane SCHEMBL27940463 0.66 CALM1 (0.80) CALM1IDH1LMNAHNF4A
SCHEMBL12562408 0.66 MEN1 (0.41) KMT2ACALM1MEN1LMNA
SCHEMBL16019333 0.65 KDM4E (0.32) KMT2AMEN1

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC KMT2A 4415/4885CALM1 958/4885IDH1 1457/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK KMT2A 3787/4885CALM1 573/4885IDH1 646/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KMT2A 4800/4885CALM1 1273/4885IDH1 962/4885

“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.