SCHEMBL12985704

SCHEMBL12985704

C=Cc1cc(Cl)c(C(C)C)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AHR P35869 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL12985865 0.76 ALDH1A1 (0.48) ALDH1A1TP53TDP1
SCHEMBL15107889 0.75 TP53 (0.39) ALDH1A1TP53TDP1HDAC8
SCHEMBL27781372 0.74 AHR (0.55) ALDH1A1TP53TDP1AHR
SCHEMBL16957329 0.74 ALDH1A1 (0.39) ALDH1A1TP53TDP1HDAC8
SCHEMBL1122678 0.74 ALDH1A1 (0.45) ALDH1A1TP53TDP1AHR
SCHEMBL4576166 0.71 TRPA1 (0.48) ALDH1A1TDP1
SCHEMBL21313018 0.71 ALOX15 (0.31)
SCHEMBL11985992 0.71 ALDH1A1 (0.47) ALDH1A1TP53AHR
SCHEMBL10738398 0.70 ALDH1A1 (0.50) ALDH1A1TP53TDP1
SCHEMBL16960668 0.70 ALDH1A1 (0.36) ALDH1A1TP53TDP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1560/4885TP53 1686/4885TDP1 3183/4885

“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.