SCHEMBL3288586

SCHEMBL3288586

C#Cc1cc(C#C)cc(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 1/20 0.32
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL31653367 0.84 EGFR (0.32) EGFR
SCHEMBL24216635 0.84 HSD17B10 (0.38) EGFRALDH1A1
SCHEMBL1620474 0.84 ALDH5A1 (0.38) EGFRALDH1A1KDM4EPTGS2RAB9A
SCHEMBL577853 0.77 ALDH1A1 (0.48) CYP1A1CYP1B1ALDH1A1CYP2A6KDM4E
SCHEMBL211753 0.76 CYP1A1 (0.46) CYP1A1CYP1B1
SCHEMBL92340 0.74 CYP2A6 (0.46) EGFRALDH1A1CYP2A6TYRKDM4E
SCHEMBL2161087 0.74 VCAM1 (0.38) EGFRPTGS2
SCHEMBL1621200 0.72 EGFR (0.33) EGFR
SCHEMBL308093 0.69 ALDH1A1 (0.47) ALDH1A1CYP2A6TYRKDM4EPTGS2
SCHEMBL2791843 0.69 CYP1A1 (0.37) CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
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-11541122-B2 Glucose sensitive insulins and uses thereof ZIYLO LIMITED 2023-01-03 US disclosed
US-11541122-B2 Glucose sensitive insulins and uses thereof ZIYLO LIMITED 2023-01-03 US disclosed
US-20220047708-A1 GLUCOSE SENSITIVE INSULINS AND USES THEREOF NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2022-02-17 US disclosed
EP-3852873-A1 GLUCOSE SENSITIVE INSULINS AND USES THEREOF Ziylo Ltd (GB) 2021-07-28 EP disclosed
CN-113164764-A Glucose-sensitive insulin and use thereof 兹洛有限公司 2021-07-23 CN disclosed
WO-2020058322-A1 GLUCOSE SENSITIVE INSULINS AND USES THEREOF ZIYLO LTD. (GB) 2020-03-26 WO 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-6916982-B2 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 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
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 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 (5 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-11541122-B2 Glucose sensitive insulins and uses thereof GPR119, IAPP, IRS1 EGFR 1916/4885CYP1A1 2684/4885CYP1B1 2754/4885
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers SCO2, PPOX, HCCS EGFR 3514/4885CYP1A1 281/4885CYP1B1 752/4885
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 EGFR 4299/4885CYP1A1 606/4885CYP1B1 1276/4885
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS SCO2, PPOX, HCCS EGFR 3514/4885CYP1A1 281/4885CYP1B1 752/4885
US-20220047708-A1 GLUCOSE SENSITIVE INSULINS AND USES THEREOF GPR119, IAPP, IRS1 EGFR 1916/4885CYP1A1 2684/4885CYP1B1 2754/4885

“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.