SCHEMBL9933770

SCHEMBL9933770

COc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.57
TUBB P07437 7/20 0.57
TUBA3C P0DPH7 7/20 0.57
TUBA1B P68363 7/20 0.57
TUBA4A P68366 7/20 0.57
TUBB4B P68371 7/20 0.57
TUBB3 Q13509 7/20 0.57
TUBB2A Q13885 7/20 0.57
TUBB8 Q3ZCM7 7/20 0.57
TUBA3E Q6PEY2 7/20 0.57
TUBA1A Q71U36 7/20 0.57
TUBA1C Q9BQE3 7/20 0.57
TUBB6 Q9BUF5 7/20 0.57
TUBB2B Q9BVA1 7/20 0.57
TUBB1 Q9H4B7 7/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CES2 O00748 1/20 0.48

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
SCHEMBL1962189 0.84 CYP1A2 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4819729 0.84 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL27888195 0.82 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16180051 0.80 CES2 (0.73) CES2
SCHEMBL7372609 0.78 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9933825 0.77 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6455798 0.75 KMT2A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4818395 0.75 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7371331 0.75 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2450750 0.74 TUBB4A (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 TUBB4A 1413/4885TUBB 1596/4885TUBA3C 1376/4885

“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.