SCHEMBL4148694

SCHEMBL4148694

OC=CC=CC=CCCCCCCCCCCCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
FASN P49327 1/20 0.35
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
FAAH O00519 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SOAT1 P35610 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
SCHEMBL28364250 1.00 ALDH1A1 (0.35) ALDH1A1TSHRFASNLMNAHSD17B10
SCHEMBL14837512 0.81 FASN (0.46) ALDH1A1TSHRFASNLMNAHSD17B10
Alcohol SCHEMBL346159 0.80 ALDH1A1 (0.55) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL11263700 0.80 FASN (0.38) ALDH1A1TSHRFASNLMNAHSD17B10
SCHEMBL11263702 0.80 FASN (0.38) ALDH1A1TSHRFASNLMNAHSD17B10
SCHEMBL11578926 0.80 FASN (0.38) ALDH1A1TSHRFASNLMNAHSD17B10
SCHEMBL23067640 0.79 LMNA (0.36) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL16294296 0.79 LMNA (0.36) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL16294497 0.79 LMNA (0.36) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL16295229 0.79 LMNA (0.36) ALDH1A1TSHRLMNAHSD17B10MEN1

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-9364454-B2 Anti-inflammatory actions of neuroprotectin D1/protectin D1 and its natural stereoisomers THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-06-14 US disclosed
US-20130150446-A1 ANTI-INFLAMMATORY ACTIONS OF NEUROPROTECTIN D1/PROTECTIN D1 AND ITS NATURAL STEREOISOMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
US-8273792-B2 Anti-inflammatory actions of neuroprotectin D1/protectin D1 and it's natural stereoisomers THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-09-25 US disclosed
US-20090156673-A1 ANTI-INFLAMMATORY ACTIONS OF NEUROPROTECTIN D1/PROTECTIN D1 AND IT'S NATURAL STEREOISOMERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. CORPORATE SPONSORED RESEARCH & LICENSING (US) 2009-06-18 US disclosed
WO-2007041440-A2 ANTI-INFLAMMATORY ACTIONS OF NEUROPROTECTIN D1/PROTECTIN D1 AND ITS NATURAL STEREOISOMERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-04-12 WO 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-20130150446-A1 ANTI-INFLAMMATORY ACTIONS OF NEUROPROTECTIN D1/PROTECTIN D1 AND ITS NATURAL STEREOISOMERS PTGER1, PTGES, PTGS1 ALDH1A1 1172/4885TSHR 3888/4885FASN 42/4885
US-20090156673-A1 ANTI-INFLAMMATORY ACTIONS OF NEUROPROTECTIN D1/PROTECTIN D1 AND IT'S NATURAL STEREOISOMERS ALOX15, ALOX12, ALOX15B ALDH1A1 302/4885TSHR 3515/4885FASN 68/4885

“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.