SCHEMBL10183100

SCHEMBL10183100

COCCn1c(C(C)(C)C)cnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 6/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.37
CASR P41180 1/20 0.36
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL12409048 0.78 ALDH1A1 (0.41) HPGDALDH1A1TDP1LMNACYP1A2
SCHEMBL10183093 0.76 KDM4E (0.33) HPGDALDH1A1TDP1LMNAHSD17B10
SCHEMBL26544453 0.75 ALDH1A1 (0.46) HPGDALDH1A1TDP1LMNACYP1A2
SCHEMBL15507396 0.75 ALDH1A1 (0.40) HPGDALDH1A1TDP1LMNACYP1A2
SCHEMBL10233670 0.74 ALDH1A1 (0.39) HPGDALDH1A1TDP1LMNACYP1A2
SCHEMBL6105472 0.70 GLA (0.45) ALDH1A1TDP1LMNACYP1A2HSD17B10
SCHEMBL20112460 0.69 CNR1 (0.33) ALDH1A1LMNASMN1; SMN2TSHRCNR1
SCHEMBL25906030 0.69 GLA (0.38) HPGDALDH1A1TDP1LMNACYP1A2
SCHEMBL13849447 0.69 CA1 (0.68) ALDH1A1LMNASMN1; SMN2MAPK1KMT2A
SCHEMBL10182976 0.69 RORC (0.33) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF HPGD 2536/4885ALDH1A1 1934/4885TDP1 1557/4885

“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.