SCHEMBL818985

SCHEMBL818985

C=CCSc1nc2ccccc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.67
CYP2D6 P10635 3/20 0.67
CYP2C19 P33261 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
CYP3A4 P08684 2/20 0.67
MAPK1 P28482 2/20 0.67
HIF1A Q16665 1/20 0.67
ALDH1A1 P00352 7/20 0.62
HSD17B10 Q99714 4/20 0.62
HPGD P15428 3/20 0.62
FBP1 P09467 2/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
DRD2 P14416 1/20 0.62
ALOX15 P16050 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
MC5R P33032 1/20 0.62
OPRM1 P35372 1/20 0.62

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
SCHEMBL175971 0.87 FBP1 (0.65) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL13768047 0.83 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL3067244 0.83 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL4758779 0.81 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL819078 0.81 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL11301188 0.81 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL14138445 0.81 MAPT (0.64) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL5837665 0.80 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL10535176 0.80 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL2514619 0.78 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170867-A1 STEREOSELECTIVE SYNTHESIS OF 9-CIS.13,14-DIHYDRORETINOIC ACID AND ITS ETHYL ESTERS UNIVERSITY OF DEBRECEN (HU) 2018-06-21 US claimed
EP-3294711-A1 STEREOSELECTIVE SYNTHESIS OF 9-CIS.13,14-DIHYDRORETINOIC ACID AND ITS ETHYL ESTERS University of Debrecen (HU) 2018-03-21 EP claimed
WO-2016181288-A1 STEREOSELECTIVE SYNTHESIS OF 9-CIS.13,14-DIHYDRORETINOIC ACID AND ITS ETHYL ESTERS UNIVERSITY OF DEBRECEN (HU) 2016-11-17 WO claimed
EP-2501726-A1 MULTIFUNCTIONAL MULTIPLE GRAFT MONOMER LOW MOLECULAR WEIGHT POLYMER Castrol Limited (GB) 2012-09-26 EP claimed
US-20110287992-A1 MULTIFUNCTIONAL MULTIPLE GRAFT MONOMER LOW MOLECULAR WEIGHT POLYMER CASTROL LIMITED (US) 2011-11-24 US claimed
WO-2011062914-A1 MULTIFUNCTIONAL MULTIPLE GRAFT MONOMER LOW MOLECULAR WEIGHT POLYMER CASTROL LIMITED (GB) 2011-05-26 WO claimed
US-6686321-B2 MIXTURE; LUBRICANT OIL ADDITIVE CASTROL LIMITED (GB) 2004-02-03 US claimed
EP-0927151-B1 REDUCED ODOR AND HIGH STABILITY AIRCRAFT TURBINE OIL BASE STOCK EXXONMOBIL CHEM PATENTS INC (US) 2003-01-29 EP claimed
US-6177387-B1 CONTAINING SYNTHETIC ESTER FROM DIPENTAERYTHRITOL AND MIXTURE OF BRANCHED AND UNBRANCHED LINEAR ACIDS EXXON CHEMICAL PATENTS INC 2001-01-23 US claimed
CN-1260383-A Compound high-effect wear-resistant friction reducer XIANG PINRAN (CN) 2000-07-19 CN claimed
EP-0927151-A1 REDUCED ODOR AND HIGH STABILITY AIRCRAFT TURBINE OIL BASE STOCK EXXON CHEMICAL PATENTS INC. (US) 1999-07-07 EP claimed
WO-1998008801-A1 REDUCED ODOR AND HIGH STABILITY AIRCRAFT TURBINE OIL BASE STOCK EXXON CHEMICAL PATENTS INC. (US) 1998-03-05 WO claimed
US-4141845-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZOTHIAZOLE OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US claimed
US-4010033-A PHOTOCHROMIC SPIROPYRANE, NITROGEN-CONTAINING THIOETHER AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1977-03-01 US claimed
JP-3041110-A None JP disclosed
US-20240299329-A1 PRECURSOR COMPOUNDS FOR PROVIDING RETINOIDS OF THE VATAMIN A5 PATHWAY AND USES THEREOF UNIV OF DEBRECEN (HU) 2024-09-12 US disclosed
US-12029715-B2 Precursor compounds for providing retinoids of the vitamin A5 pathway and uses thereof UNIVERSITY OF DEBRECEN (HU) 2024-07-09 US disclosed
US-4141845-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZOTHIAZOLE OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US disclosed
US-4141845-A TETRAESTER OF PENTAERYTHRITOL, ARYLAMINES, PHOSPHATE ESTERS AND S-ARYL-2-MERCAPTOBENZOTHIAZOLE OXIDATION RESISTANCE TEXACO INC. (US) 1979-02-27 US disclosed
US-4092255-A ETHYLENE-MONOOLEFIN-NON-CONJUGATED DIENE TERPOLYMER WITH A VINYL IMIDAZOL(IN)E OR ALKENYL CARBAZOLE MONOMER ENTREPRISE DE RECHERCHES ET D'ACTIVITES PETROLIERES (E.R.A.P.) (FR) 1978-05-30 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 (3 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-12029715-B2 Precursor compounds for providing retinoids of the vitamin A5 pathway and uses thereof RXRA, RXRG, RARA CYP1A2 300/4885CYP2D6 327/4885CYP2C19 762/4885
US-20180170867-A1 STEREOSELECTIVE SYNTHESIS OF 9-CIS.13,14-DIHYDRORETINOIC ACID AND ITS ETHYL ESTERS RXRA, RXRB, NR2E3 CYP1A2 733/4885CYP2D6 296/4885CYP2C19 370/4885
US-20240299329-A1 PRECURSOR COMPOUNDS FOR PROVIDING RETINOIDS OF THE VATAMIN A5 PATHWAY AND USES THEREOF RXRA, RARA, RXRG CYP1A2 664/4885CYP2D6 719/4885CYP2C19 1441/4885

“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.