SCHEMBL6233142

SCHEMBL6233142

COc1cc(C(=O)c2cc(Cl)ccc2N)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.57
TUBB P07437 8/20 0.57
TUBA3C P0DPH7 8/20 0.57
TUBA1B P68363 8/20 0.57
TUBA4A P68366 8/20 0.57
TUBB4B P68371 8/20 0.57
TUBB3 Q13509 8/20 0.57
TUBB2A Q13885 8/20 0.57
TUBB8 Q3ZCM7 8/20 0.57
TUBA3E Q6PEY2 8/20 0.57
TUBA1A Q71U36 8/20 0.57
TUBA1C Q9BQE3 8/20 0.57
TUBB6 Q9BUF5 8/20 0.57
TUBB2B Q9BVA1 8/20 0.57
TUBB1 Q9H4B7 8/20 0.57
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL5014958 0.89 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8134079 0.86 CYP1A2 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12116692 0.84 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15870034 0.84 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10372518 0.84 TSHR (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL635552 0.82 RECQL (0.56) LMNA
SCHEMBL1308823 0.81 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL212051 0.80 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9162777 0.80 MAPT (0.52) LMNAMAPT
SCHEMBL1306941 0.80 TUBB4A (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
EP-1523556-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-1 RECEPTOR SRI INTERNATIONAL (US) 2005-04-20 EP disclosed
US-20040147562-A1 Methods of treating conditions associated with an EDG-1 receptor MANIV ENERGY CAPITAL 2004-07-29 US disclosed
WO-2004009816-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-1 RECEPTOR CERETEK LLC (US) 2004-01-29 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 (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-20040147562-A1 Methods of treating conditions associated with an EDG-1 receptor EDNRA, EDNRB, ESRRG TUBB4A 2575/4885TUBB 2332/4885TUBA3C 3444/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 TUBB4A 677/4885TUBB 782/4885TUBA3C 902/4885

“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.