SCHEMBL3580152

SCHEMBL3580152

O=C(O)[C@]1(Cl)CCC[C@H](O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.34
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.32
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
MTOR P42345 2/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ARG2 P78540 2/20 0.31
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6520915 1.00 ARG1 (0.34) ARG1CYP1A2TSHRGRM2GRM3
SCHEMBL4264841 1.00 ARG1 (0.34) ARG1CYP1A2TSHRGRM2GRM3
SCHEMBL4381001 0.79 CYP1A2 (0.46) ARG1CYP1A2TSHRGRM2GRM3
SCHEMBL19522736 0.74 CYP1A2 (0.32) ARG1CYP1A2TSHRGRM2GRM3
SCHEMBL23484419 0.74 CYP1A2 (0.32) ARG1CYP1A2TSHRGRM2GRM3
SCHEMBL243671 0.73
SCHEMBL1033587 0.73
SCHEMBL11819887 0.73 GRM4 (0.33) CYP1A2TSHRGRM2GRM3GRM4
SCHEMBL709809 0.72 FFAR3 (0.46) CYP1A2TSHRGRM2GRM3GRM4
SCHEMBL11076963 0.72 FFAR3 (0.46) CYP1A2TSHRGRM2GRM3GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645768-B2 Production of polyketides and other natural products WYETH (US) 2010-01-12 US disclosed
US-20080039486-A1 PRODUCTION OF POLYKETIDES AND OTHER NATURAL PRODUCTS GREGORY MATTHEW A 2008-02-14 US disclosed
US-20080021211-A1 PRODUCTION OF POLYKETIDES AND OTHER NATURAL PRODUCTS BIOTICA TECHNOLOGY LIMITED (GB) 2008-01-24 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 (2 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-20080021211-A1 PRODUCTION OF POLYKETIDES AND OTHER NATURAL PRODUCTS FKBP14, FKBP4, FKBP2 ARG1 4780/4885CYP1A2 3332/4885TSHR 3950/4885
US-20080039486-A1 PRODUCTION OF POLYKETIDES AND OTHER NATURAL PRODUCTS FKBP14, FKBP4, FKBP2 ARG1 4780/4885CYP1A2 3332/4885TSHR 3950/4885

“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.