SCHEMBL12884259

SCHEMBL12884259

C(=C/c1cc2ccccc2s1)\c1ccc2c(c1)sc1c3ccc(/C=C/c4cc5ccccc5s4)cc3sc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 4/20 0.51
▸ TUBB P07437 4/20 0.51
▸ TUBA3C P0DPH7 4/20 0.51
▸ TUBA1B P68363 4/20 0.51
▸ TUBA4A P68366 4/20 0.51
▸ TUBB4B P68371 4/20 0.51
▸ TUBB3 Q13509 4/20 0.51
▸ TUBB2A Q13885 4/20 0.51
▸ TUBB8 Q3ZCM7 4/20 0.51
▸ TUBA3E Q6PEY2 4/20 0.51
▸ TUBA1A Q71U36 4/20 0.51
▸ TUBA1C Q9BQE3 4/20 0.51
▸ TUBB6 Q9BUF5 4/20 0.51
▸ TUBB2B Q9BVA1 4/20 0.51
▸ TUBB1 Q9H4B7 4/20 0.51
▸ CYP2A6 P11509 3/20 0.47
▸ GSK3B P49841 1/20 0.40
▸ PRMT1 Q99873 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL12884251 0.84 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12884255 0.82 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9976853 0.81 RELA (0.56) RELAPTGS1
SCHEMBL12884256 0.80 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13167668 0.79 RELA (0.47) TUBB1RELA
SCHEMBL3129669 0.79 RELA (0.47) TUBB1RELA
SCHEMBL18666284 0.76 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12884253 0.76 CYP2A6 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10031376 0.76 PTGS1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13520151 0.75 PTGS1 (0.46) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110031487-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 — — 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-20110031487-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING THE COMPOUND MLX, YBX1, HAX1 TUBB4A 791/4885TUBB 1436/4885TUBA3C 1366/4885

“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.

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