SCHEMBL20557151

SCHEMBL20557151

C/C(=C/COC(=O)OC/C=C(/C)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
AKT1 P31749 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TSHR P16473 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL20557152 1.00 MTNR1A (0.46) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL21119365 0.91 MTNR1A (0.46) MTNR1AMTNR1BAKT1LMNAPPARG
SCHEMBL21119244 0.91 MTNR1A (0.46) MTNR1AMTNR1BAKT1LMNAPPARG
SCHEMBL29827845 0.89 ALDH1A1 (0.48) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL20557153 0.89 AKT1 (0.42) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL5049269 0.83 ELANE (0.46) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL27567294 0.83 TRPV1 (0.42) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL7259155 0.83 TRPV1 (0.42) MTNR1AMTNR1BAKT1LMNACYP1A2
SCHEMBL7804762 0.82 MTNR1A (0.44) MTNR1AMTNR1BLMNACYP1A2CYP2D6
SCHEMBL20557155 0.80 SMN1; SMN2 (0.49) HSD17B10CES2CES1TDP1ALDH1A1

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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-02 US disclosed
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids ELOVL5, FASN, ACSL5 MTNR1A 4307/4885MTNR1B 4333/4885AKT1 1306/4885
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS ELOVL5, FASN, ACSL5 MTNR1A 4113/4885MTNR1B 4017/4885AKT1 1192/4885

“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.