SCHEMBL4579456

SCHEMBL4579456

O=C(O)C1CCCCC1Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
ADRB2 P07550 1/20 0.36
TBXA2R P21731 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
SIRT5 Q9NXA8 1/20 0.35
PTGS1 P23219 6/20 0.34
PTGS2 P35354 6/20 0.34

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
SCHEMBL7221456 0.78 SMN1; SMN2 (0.44) CA1CA2CA9TAAR1PTGS1
SCHEMBL7230439 0.76 TAAR1 (0.53) CYP2C19TAAR1
SCHEMBL7452648 0.76 TAAR1 (0.53) CYP2C19TAAR1
SCHEMBL7452644 0.76 TAAR1 (0.53) CYP2C19TAAR1
SCHEMBL27255526 0.75 CYP2C19 (0.46) CYP2C9CYP2C19HIF1AITGB3ITGAV
SCHEMBL17318445 0.75 CA1 (0.45) CA1CA2CA9CA12CD274
SCHEMBL5002695 0.72 HSD17B10 (0.56) TAAR1PTGS1PTGS2
SCHEMBL7223358 0.72 HSD17B10 (0.56) TAAR1PTGS1PTGS2
SCHEMBL7225865 0.72 PTGS1 (0.47) CA1CA2CA9CA12TAAR1
SCHEMBL27256993 0.72 CYP2C19 (0.42) CYP2C9CYP2C19HIF1AITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080236412-A1 Nano-imprinting method using material having surface energy NATIONAL APPLIED RESEARCH LABORATORIES (TW) 2008-10-02 US claimed
EP-0050457-A1 Radiopaque cyanoacrylate compositions BioNexus, Inc. (US) 1982-04-28 EP claimed
US-12461089-B2 Olfactory receptor involved in the perception of musk fragrance and the use thereof CHEMOSENSORYX BIOSCIENCES SA (BE) 2025-11-04 US disclosed
WO-2025043152-A1 METHODS OF DEALKENYLATIVE AMINATION AND AZIDATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 WO disclosed
US-20240319168-A1 OLFACTORY RECEPTOR INVOLVED IN THE PERCEPTION OF MUSK FRAGRANCE AND THE USE THEREOF CHEMOSENSORYX BIOSCIENCES SA (BE) 2024-09-26 US disclosed
US-11867685-B2 Olfactory receptor involved in the perception of musk fragrance and the use thereof CHEMCOM S.A. (BE) 2024-01-09 US disclosed
EP-2975015-A1 USE OF CATALYST OF SUBGROUP VI ELEMENT FOR PREPARING ORGANIC CHEMICAL PRODUCT FROM LIGNIN Tianjin University (CN) 2016-01-20 EP disclosed
US-20080236412-A1 Nano-imprinting method using material having surface energy NATIONAL APPLIED RESEARCH LABORATORIES (TW) 2008-10-02 US disclosed
EP-1546168-A4 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2008-03-12 EP disclosed
US-20060111335-A1 Photoactivated anti-viral and anti-cancer agent PURDUE RESEARCH FOUNDATION 2006-05-25 US disclosed
EP-1546168-A2 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2005-06-29 EP disclosed
WO-2004012667-A2 PHOTOACTIVATED ANTI-VIRAL AND ANTI-CANCER AGENT PURDUE RESEARCH FOUNDATION (US) 2004-02-12 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 (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-20060111335-A1 Photoactivated anti-viral and anti-cancer agent TP53, POLI, POLK CYP2C9 3600/4885CYP2C19 3666/4885HIF1A 472/4885

“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.