SCHEMBL3344995

SCHEMBL3344995

CCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL12971261 0.93 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1567586 0.91 PTGER2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1126782 0.87 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28552623 0.87 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10397352 0.86 MAPK14 (0.61) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL5775657 0.84 ALDH1A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18529232 0.81 HDAC3 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18529233 0.80 GCGR (0.48) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL18529243 0.79 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10GAAKMT2A
SCHEMBL18529236 0.79 GCGR (0.55) ALDH1A1HPGDCYP1A2CYP2C19XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2018-09-06 US claimed
EP-3337323-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF University Of Mysore (IN) 2018-06-27 EP claimed
WO-2017029684-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2017-02-23 WO claimed
US-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2018-09-06 US disclosed
EP-3337323-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF University Of Mysore (IN) 2018-06-27 EP disclosed
WO-2017029684-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2017-02-23 WO disclosed
EP-2382225-B1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GEN ELECTRIC (US) 2013-08-28 EP disclosed
WO-2010074957-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-07-01 WO disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 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-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF TOP1, TOP2A, TOP2B TUBB4A 1870/4885TUBB 1506/4885TUBA3C 669/4885
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES SCO2, C1S, C1R TUBB4A 3387/4885TUBB 3028/4885TUBA3C 1904/4885

“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.