SCHEMBL2616633

SCHEMBL2616633

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.83
ALOX15 P16050 3/20 0.83
RECQL P46063 3/20 0.83
HSD17B10 Q99714 3/20 0.83
TSHR P16473 3/20 0.83
TDP1 Q9NUW8 2/20 0.83
MAPT P10636 7/20 0.65
KDM4E B2RXH2 2/20 0.65
PTGS1 P23219 4/20 0.55
PTPN1 P18031 1/20 0.42
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
LMNA P02545 2/20 0.36
PGR P06401 2/20 0.36
NR1I2 O75469 2/20 0.36
RXRA P19793 6/20 0.34
RARA P10276 4/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34

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
SCHEMBL22506217 1.00 ALDH1A1 (0.83) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL26670212 0.91 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL42367 0.91 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL340220 0.91 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL26670211 0.91 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL23576251 0.91 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL24736520 0.88 ALDH1A1 (0.83) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL13419262 0.88 ALDH1A1 (0.83) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL2616645 0.87 ALDH1A1 (0.58) ALDH1A1ALOX15RECQLHSD17B10TSHR
SCHEMBL5074195 0.87 ALDH1A1 (0.58) ALDH1A1ALOX15RECQLHSD17B10TSHR

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-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-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 ALDH1A1 3045/4885ALOX15 28/4885RECQL 2626/4885
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 ALDH1A1 3045/4885ALOX15 28/4885RECQL 2626/4885

“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.