SCHEMBL5368739

SCHEMBL5368739

COc1c(Cl)cc(C=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TNFRSF1A P19438 2/20 0.38
ALDH1A1 P00352 9/20 0.38
ERBB2 P04626 2/20 0.38
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
EGFR P00533 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
TPMT P51580 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5365834 0.87 TNFRSF1A (0.46) TNFRSF1AALDH1A1ERBB2TDP1TSHR
SCHEMBL2391793 0.83 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2L3MBTL1TDP1
SCHEMBL5370373 0.79 MCL1 (0.41) TNFRSF1AALDH1A1ERBB2TDP1TSHR
SCHEMBL5361555 0.79 ERBB2 (0.51) TNFRSF1AALDH1A1ERBB2TDP1TSHR
SCHEMBL524215 0.77 KMT2A (0.55) KMT2AALDH1A1CYP1A2L3MBTL1TDP1
SCHEMBL8996628 0.76 KMT2A (0.39) KMT2AALDH1A1CYP1A2L3MBTL1TDP1
SCHEMBL5368735 0.75 MAOA (0.46) KMT2AALDH1A1CYP1A2L3MBTL1TDP1
SCHEMBL5362416 0.75 GABBR2 (0.51) KMT2AALDH1A1CYP1A2TSHREGFR
SCHEMBL16411026 0.75 KMT2A (0.41) KMT2AALDH1A1CYP1A2L3MBTL1TDP1
SCHEMBL2808932 0.75 TPMT (0.54) KMT2AALDH1A1CYP1A2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK KMT2A 4060/4885TNFRSF1A 1313/4885ALDH1A1 2044/4885

“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.