SCHEMBL4641334

SCHEMBL4641334

O=C(O)c1cc(I)cc2c1OCC=C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOB P27338 1/20 0.33
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRA P18433 1/20 0.31
PTPRB P23467 1/20 0.31
PTPRE P23469 1/20 0.31
PTPN6 P29350 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 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
SCHEMBL1748858 0.73 CYP2B6 (0.42) CYP1A1CYP1A2CA1CA9
SCHEMBL30629173 0.73 CYP2B6 (0.42) CYP1A1CYP1A2CA1CA9
Hydrochloric Acid SCHEMBL6245847 0.72 CYP2B6 (0.41) CYP1A1CYP1A2CA1CA9
SCHEMBL4640370 0.71 KDM4E (0.42)
SCHEMBL4641357 0.69 ALDH1A1 (0.41) MAOBPTPRCPTPN2PTPN1PTPRA
SCHEMBL4641978 0.69 PTPRC (0.33) MAOBPTPRCPTPN2PTPN1PTPRA
SCHEMBL7395299 0.65 HTT (0.33) CA1CA9
SCHEMBL7531329 0.64 ALDH1A1 (0.35) CYP1A1CYP1A2CA1CA9
SCHEMBL30066970 0.62 PARP1 (0.50) CYP1A1CYP1A2
Phthalic Acid SCHEMBL29149670 0.62 ALDH1A1 (0.47) PTPN1CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 CYP1A1 399/4885CYP1A2 446/4885MAOB 119/4885

“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.