SCHEMBL2811400

SCHEMBL2811400

CC(C)=CCc1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
GGPS1 O95749 1/20 0.43
ENPP2 Q13822 1/20 0.42
TSHR P16473 1/20 0.39
PRKCI P41743 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
S1PR1 P21453 4/20 0.37
CYP19A1 P11511 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
DAO P14920 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HTT P42858 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL1904000 0.92 GGPS1 (0.47) GGPS1TRPA1CYP19A1AKR1C3AKR1C2
SCHEMBL27314752 0.84 GGPS1 (0.43) GGPS1TRPA1CYP19A1AKR1C3AKR1C2
SCHEMBL13189961 0.82 GGPS1 (0.42) GGPS1TRPA1CYP19A1AKR1C3AKR1C2
SCHEMBL9454043 0.82 GGPS1 (0.42) GGPS1TSHRTRPA1CYP19A1AKR1C3
SCHEMBL27346370 0.82 NOS1 (0.51) GGPS1ENPP2NOS3NOS1NOS2
SCHEMBL8848832 0.80 TAAR1 (0.47) GGPS1AKR1C3AKR1C2
SCHEMBL5046544 0.79 PRSS1 (0.47) PRSS1PRSS2PRSS3ENPP2TSHR
SCHEMBL2812304 0.79 TRPA1 (0.48) PRSS1PRSS2PRSS3GGPS1TSHR
SCHEMBL3800542 0.78 AKR1C3 (0.39) PRSS1PRSS2PRSS3GGPS1CYP19A1
SCHEMBL2229094 0.78 MAOB (0.47) PRSS1PRSS2PRSS3GGPS1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 US disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP 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-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents GGPS1, FDPS, DCTPP1 PRSS1 2235/4885PRSS2 4193/4885PRSS3 3871/4885

“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.