SCHEMBL4110106

SCHEMBL4110106

COc1ccc(CCc2cc(N)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
CYP19A1 P11511 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL17967211 0.79 NOTUM (0.42) TAAR1MAOBAOC3DHFR
SCHEMBL18010607 0.75 TAAR1 (0.47) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL834551 0.73 TAAR1 (0.73) TAAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8746062 0.72 CYP19A1 (0.74) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL18041418 0.71 CYP19A1 (0.53) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL9819303 0.71 FDPS (0.51) NPC1RAB9AL3MBTL1CA12CA1
SCHEMBL4104544 0.70 RAB9A (0.59) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4016450 0.69 DYRK1A (0.58) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL28891744 0.68 CALM1 (0.75) TAAR1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL9468301 0.68 TAAR1 (0.95) TAAR1CYP19A1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP disclosed
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
US-4973576-A ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 US disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP 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-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 TAAR1 17/4885CYP19A1 481/4885TUBB4A 2046/4885

“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.