SCHEMBL3290035

SCHEMBL3290035

Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C=O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.53
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 3/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ CYP2A6 P11509 1/20 0.47
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL3476593 0.92 TOP1 (0.59) TERTTOP1CYCSABCG2ENPP2
SCHEMBL29477148 0.92 TOP1 (0.59) TERTTOP1CYCSABCG2ENPP2
SCHEMBL87873 0.90 TOP1 (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL79276 0.88 TOP1 (0.47) TERTTOP1CYCSABCG2ENPP2
SCHEMBL29693624 0.87 TERT (0.62) TERTTOP1CYCSABCG2ENPP2
SCHEMBL242168 0.87 TERT (0.62) TERTTOP1CYCSABCG2ENPP2
SCHEMBL14864690 0.87 TERT (0.55) TERTTOP1CYCSABCG2ENPP2
SCHEMBL28134548 0.87 TOP1 (0.57) TERTTOP1CYCSABCG2ENPP2
SCHEMBL30022815 0.87 TOP1 (0.57) TERTTOP1CYCSABCG2ENPP2
SCHEMBL28629714 0.87 TOP1 (0.57) TERTTOP1CYCSABCG2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 — — US claimed
US-20100133111-A1 CATALYTIC MATERIALS, PHOTOANODES, AND PHOTOELECTROCHEMICAL CELLS FOR WATER ELECTROLYSIS AND OTHER ELECTROCHEMICAL TECHNIQUES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-03 — — US disclosed
US-7718794-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-18 — — US disclosed
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-14 — — US disclosed
US-7378520-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2008-05-27 — — US disclosed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 — — US disclosed
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers ZETTACORE, INC. 2006-01-12 — — US disclosed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 — — 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 (3 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-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers SCO2, PPOX, HCCS TERT 2371/4885TOP1 3777/4885CYCS 4/4885
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO TERT 1115/4885TOP1 914/4885CYCS 519/4885
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS SCO2, PPOX, HCCS TERT 2371/4885TOP1 3777/4885CYCS 4/4885

“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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