SCHEMBL3961925

SCHEMBL3961925

C=C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA1 P15085 5/20 0.48
CPA3 P15088 3/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
SRR Q9GZT4 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MME P08473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL2928010 1.00 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9514047 0.98 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
Acetic Acid SCHEMBL27384315 0.94 ALPI (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27814583 0.85 CTRB1 (0.51) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL27418403 0.85 CYP1A2 (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL9514042 0.85 CYP1A2 (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12493787 0.83 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6789635 0.83 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12493782 0.83 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6789634 0.83 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572928-B2 Fluorination process ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 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 (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-20070142632-A1 Fluorination process CYP2F1, SF3A2, SF3B2 CYP1A2 17/4885ALPI 2180/4885PKM 2156/4885

“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.