SCHEMBL10176209

SCHEMBL10176209

C=C(c1cccc(-c2cc3cc(F)ccc3[nH]2)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.47
TUBB P07437 8/20 0.47
TUBA3C P0DPH7 8/20 0.47
TUBA1B P68363 8/20 0.47
TUBA4A P68366 8/20 0.47
TUBB4B P68371 8/20 0.47
TUBB3 Q13509 8/20 0.47
TUBB2A Q13885 8/20 0.47
TUBB8 Q3ZCM7 8/20 0.47
TUBA3E Q6PEY2 8/20 0.47
TUBA1A Q71U36 8/20 0.47
TUBA1C Q9BQE3 8/20 0.47
TUBB6 Q9BUF5 8/20 0.47
TUBB2B Q9BVA1 8/20 0.47
TUBB1 Q9H4B7 8/20 0.47
SMO Q99835 2/20 0.46
CYP1A1 P04798 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL425092 0.88 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10176211 0.88 SMO (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10176208 0.77 SMO (0.50) SMOKDM4EALDH1A1HPGDMEN1
SCHEMBL10176182 0.76 FLT3 (0.54) CYP1A1KDM4EALDH1A1HPGDVCP
SCHEMBL13814176 0.74 SMO (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL424789 0.74 SMO (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10176210 0.74 RAB9A (0.56) SMOKDM4EALDH1A1HPGDMEN1
SCHEMBL4333228 0.73 CYP1A1 (0.58) CYP1A1KDM4EALDH1A1HPGDAHR
SCHEMBL10176213 0.72 SMO (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13814178 0.72 SMO (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 TUBB4A 6/4885TUBB 1/4885TUBA3C 24/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 TUBB4A 10/4885TUBB 1/4885TUBA3C 19/4885

“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.