SCHEMBL2616637

SCHEMBL2616637

C=C(OCC)/C(C)=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C(\C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLO1 Q04760 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PGR P06401 2/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 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
SCHEMBL2616649 0.91 PTGS1 (0.47) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL2616636 0.88 PTGS1 (0.49) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL14406046 0.85 PTGS1 (0.37) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL2616638 0.84 GLO1 (0.48) PTGS1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL14406045 0.84 PTGS1 (0.40) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL2616632 0.82 GLO1 (0.41) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL5071854 0.81 PTGS1 (0.55) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL5071853 0.81 PTGS1 (0.55) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL2630302 0.81 HCAR2 (0.44) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL2630514 0.79 GLO1 (0.43) PTGS1ALDH1A1TSHRHSD17B10GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950067-B2 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals, LLC (US) 2018-04-24 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 US disclosed
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 PTGS1 1001/4885ALDH1A1 3045/4885TDP1 4025/4885
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 PTGS1 1001/4885ALDH1A1 3045/4885TDP1 4025/4885

“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.