SCHEMBL9609679

SCHEMBL9609679

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nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PGD P52209 2/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
TP53 P04637 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
SCHEMBL10002061 1.00 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL9609680 1.00 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL2616762 1.00 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL17693480 1.00 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL3453885 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL28150772 0.77 TSHR (0.43) TSHRPGDCYP2C9PDE4A
SCHEMBL28163286 0.77 TSHR (0.43) TSHRPGDCYP2C9PDE4A
SCHEMBL13017376 0.76
SCHEMBL13017377 0.76
SCHEMBL15859132 0.75 TSHR (0.41) TSHR

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-20170151145-A1 POWERFUL HAIR TREATMENT AGENT HAVING ANTI-WASHOUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 US disclosed
US-20170151153-A1 POWERFUL HAIR TREATMENT AGENT WITH ANTI-WASHOUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 US disclosed
US-20120277433-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED QUINOXALINES ALKEM LABORATORIES LIMITED (IN) 2012-11-01 US disclosed
US-20120136096-A1 PROTECTION OF A DISPERSING AGENT DURING A GRINDING OPERATION LAFARGE (FR) 2012-05-31 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-20170151145-A1 POWERFUL HAIR TREATMENT AGENT HAVING ANTI-WASHOUT EFFECT OAT, HOGA1, LGALS7; LGALS7B TSHR 2728/4885PGD 60/4885CYP2C9 4455/4885
US-20170151153-A1 POWERFUL HAIR TREATMENT AGENT WITH ANTI-WASHOUT EFFECT SLC25A13, HOGA1, GCDH TSHR 2420/4885PGD 41/4885CYP2C9 4204/4885
US-20120277433-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED QUINOXALINES QDPR, DCXR, NQO2 TSHR 4398/4885PGD 821/4885CYP2C9 576/4885

“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.