SCHEMBL2608628

SCHEMBL2608628

COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.65
NQO2 P16083 2/20 0.58
TUBB4A P04350 4/20 0.56
TUBB P07437 4/20 0.56
TUBA3C P0DPH7 4/20 0.56
TUBA1B P68363 4/20 0.56
TUBA4A P68366 4/20 0.56
TUBB4B P68371 4/20 0.56
TUBB3 Q13509 4/20 0.56
TUBB2A Q13885 4/20 0.56
TUBB8 Q3ZCM7 4/20 0.56
TUBA3E Q6PEY2 4/20 0.56
TUBA1A Q71U36 4/20 0.56
TUBA1C Q9BQE3 4/20 0.56
TUBB6 Q9BUF5 4/20 0.56
TUBB2B Q9BVA1 4/20 0.56
TUBB1 Q9H4B7 4/20 0.56
CYP1A1 P04798 3/20 0.56
CYP1B1 Q16678 3/20 0.56
CYP1A2 P05177 2/20 0.54

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
SCHEMBL2612725 0.93 CYP19A1 (0.73) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL3059433 0.93 CYP19A1 (0.73) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL19583395 0.91 CYP1A1 (0.65) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19583396 0.91 CYP1A1 (0.65) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15096134 0.89 CYP19A1 (0.63) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL13904959 0.87 CYP19A1 (0.65) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL3765052 0.83 CYP19A1 (0.79) CYP19A1NQO2CYP1A1CYP1B1CYP1A2
SCHEMBL13018885 0.83 CYP19A1 (0.79) CYP19A1NQO2CYP1A1CYP1B1CYP1A2
SCHEMBL19003409 0.83 CYP19A1 (0.60) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL13137567 0.83 CYP19A1 (0.60) CYP19A1NQO2TUBB4ATUBBTUBA3C

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-20170176469-A1 Molecular Probes for Detecting Lipids CASE WESTERN UNIVERSITY 2017-06-22 US disclosed
US-9555130-B2 Compositions and methods for in vivo imaging of myelin in the peripheral nervous system CASE WESTERN RESERVE UNIVERSITY (US) 2017-01-31 US disclosed
US-20120093727-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING OF MYELIN IN THE PERIPHERAL NERVOUS SYSTEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-19 US disclosed
US-20100221180-A1 IN VIVO IMAGING OF MYELINATION WANG YANMING 2010-09-02 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 (2 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-20100221180-A1 IN VIVO IMAGING OF MYELINATION MAG, PMP22, MYT1 CYP19A1 4871/4885NQO2 2223/4885TUBB4A 12/4885
US-20120093727-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING OF MYELIN IN THE PERIPHERAL NERVOUS SYSTEM PMP22, MAG, MYT1 CYP19A1 4802/4885NQO2 1809/4885TUBB4A 16/4885

“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.