SCHEMBL14224932

SCHEMBL14224932

CC/C=C/C(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 3/20 0.32
FFAR1 O14842 1/20 0.32
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
LMNA P02545 4/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PRKCA P17252 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
SCHEMBL7058772 1.00 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7753852 1.00 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14775433 0.84
SCHEMBL14775200 0.84
SCHEMBL6060562 0.83 GLO1 (0.31) TSHR
SCHEMBL28847936 0.83 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14775434 0.83 ALDH1A1 (0.32) MAPTALDH1A1FFAR1CYP19A1RXRA
SCHEMBL9543118 0.83 FPR2 (0.31)
SCHEMBL9543124 0.83 FPR2 (0.31)
SCHEMBL28572548 0.82 ALDH1A1 (0.41) MAPTALDH1A1LMNAPRKCA

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-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
US-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
US-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND OSAKA UNIVERSITY (JP) 2012-12-13 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-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND COASY, OXER1, ACSL1 TSHR 2945/4885CHRM2 2053/4885CHRM4 2867/4885

“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.