SCHEMBL5971972

SCHEMBL5971972

CCCCCOP(=O)(O)C#N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.59
LPAR2 Q9HBW0 8/20 0.59
LPAR1 Q92633 6/20 0.59
CYP3A4 P08684 1/20 0.45
LPAR5 Q9H1C0 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CDC25A P30304 1/20 0.40
AGTR1 P30556 1/20 0.40
AKT1 P31749 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5971975 0.79 LPAR3 (0.52) LPAR3LPAR2LPAR1CYP3A4LPAR5
Water SCHEMBL18148967 0.79 LPAR3 (0.91) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL5250599 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL19602981 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL6709164 0.77 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4LPAR5
Phosphoric Acid Monodecyl Ester SCHEMBL27532872 0.77 LPAR3 (0.95) LPAR3LPAR2LPAR1CYP3A4LPAR5
Water SCHEMBL27325621 0.77 LPAR3 (0.72) LPAR3LPAR2LPAR1CYP3A4LPAR5
Water SCHEMBL26965726 0.77 LPAR3 (0.95) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL56778 0.76 LPAR3 (0.95) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL1582974 0.76 LPAR3 (0.95) LPAR3LPAR2LPAR1CYP3A4LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof Asta Pharmaceuticals Co., Ltd. (JP) 2018-11-13 US disclosed
EP-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF FUJI CHEMICAL INDUSTRIES CO., LTD. (JP) 2017-03-23 US disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (7 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-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF NR2E3, NR3C2, NR5A1 LPAR3 954/4885LPAR2 3320/4885LPAR1 2660/4885
US-10125104-B2 Carotenoid derivative, pharmaceutically acceptable salt thereof, or pharmaceutically acceptable ester or amide thereof NR2E3, NR3C2, NR5A1 LPAR3 954/4885LPAR2 3320/4885LPAR1 2660/4885
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 LPAR3 3098/4885LPAR2 2846/4885LPAR1 2436/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 LPAR3 3098/4885LPAR2 2846/4885LPAR1 2436/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 LPAR3 4071/4885LPAR2 4306/4885LPAR1 4254/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 LPAR3 4111/4885LPAR2 4342/4885LPAR1 4298/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD LPAR3 979/4885LPAR2 1018/4885LPAR1 1159/4885

“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.