SCHEMBL4513429

SCHEMBL4513429

COc1ccc(OC(F)(F)F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53
TUBA1C Q9BQE3 3/20 0.53
TUBB6 Q9BUF5 3/20 0.53
TUBB2B Q9BVA1 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53
ABL1 P00519 1/20 0.51
APP P05067 1/20 0.46
ALDH1A1 P00352 2/20 0.44
AOX1 Q06278 1/20 0.44
ALOX5 P09917 1/20 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
SCHEMBL24436846 0.85 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL365669 0.85 GCGR (0.52) ABL1ALDH1A1ALOX5GCGRMAOB
SCHEMBL12422184 0.82 CA12 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL581508 0.80 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24436869 0.80 AURKA (0.42) ABL1ALDH1A1GAACYP3A4TSHR
SCHEMBL8302095 0.79 GPR3 (0.44) GPR3ALPL
SCHEMBL5158453 0.79 ALDH1A1 (0.46) TUBB1ALDH1A1CYP1A2GAAGPR3
SCHEMBL29956393 0.79 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL320667 0.79 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24445841 0.78 GPR3 (0.48) CYP1A2MAPTGAACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
EP-1831157-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE Pfizer Limited (GB) 2007-09-12 EP disclosed
WO-2006067587-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE PFIZER LIMITED (GB) 2006-06-29 WO 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-20090264425-A1 CHEMICAL COMPOUNDS POLR2E, POLR2A, POLRMT TUBB4A 864/4885TUBB 831/4885TUBA3C 675/4885

“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.