SCHEMBL321313

SCHEMBL321313

CCC(Br)(CC)CCP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TYMS P04818 1/20 0.38
ALDH1A1 P00352 1/20 0.35
FDPS P14324 2/20 0.34
S1PR2 O95136 6/20 0.34
S1PR4 O95977 6/20 0.34
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 6/20 0.34
BBOX1 O75936 1/20 0.33
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL1227290 0.86 LPAR3 (0.46) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL4455057 0.85 LPAR3 (0.50) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL7785524 0.77 LPAR3 (0.57) LPAR3LPAR2FDPSS1PR2S1PR4
SCHEMBL1227298 0.75 FDPS (0.33) GRM4LPAR3LPAR2FDPS
SCHEMBL9643758 0.73 GRM4 (0.50) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL28403595 0.73 LPAR3 (0.47) LPAR3LPAR2FDPSS1PR4S1PR1
SCHEMBL1866051 0.73 FDPS (0.36) ALDH1A1FDPSS1PR2S1PR4S1PR1
SCHEMBL18438952 0.71 GRM4 (0.48) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL3175383 0.71 GRM4 (0.60) GRM4LPAR3LPAR2TYMSALDH1A1
SCHEMBL27442316 0.70 LPAR3 (0.53) LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336362-B2 Diamondoid compounds MERCK PATENT GMBH (DE) 2025-06-17 US disclosed
EP-3610868-B1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID DERIVATIVES AND THEIR MEDICAL USE GRI BIO INC (US) 2025-02-19 EP disclosed
WO-2025019953-A1 ALTERNATING DUAL-ELECTROLYSER SYSTEMS AND METHODS FOR DIRECT AIR CAPTURE (DAC) AND RELEASE OF CO2 THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2025-01-30 WO disclosed
US-20240389371-A1 PHOTOELECTRIC CONVERSION ELEMENT AND COMPOUND EneCoat Technologies Co., Ltd. (JP) 2024-11-21 US disclosed
EP-4394845-A1 PHOTOELECTRIC CONVERSION ELEMENT AND COMPOUND Enecoat Technologies Co.,Ltd. (JP) 2024-07-03 EP disclosed
EP-3966871-B1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-03 EP disclosed
WO-2023038050-A1 PHOTOELECTRIC CONVERSION ELEMENT AND COMPOUND 株式会社エネコートテクノロジーズ 2023-03-16 WO disclosed
WO-2022178594-A1 C-REACTIVE PROTEIN INHIBITORS Baker Heart and Diabetes Institute (AU) 2022-09-01 WO disclosed
US-20220209150-A1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
US-20220089455-A1 METHOD FOR PRODUCING NANOPARTICLE HAVING METAL PARTICLE WHICH CONTAINS IRON OXIDE TO WHICH ONE OR MORE HYDROPHILIC LIGANDS ARE COORDINATION BONDED ASTELLAS PHARMA INC. (JP) 2022-03-24 US disclosed
US-20060269926-A1 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. 2006-11-30 US disclosed
EP-1530577-B1 ORGANOPHOSPHOROUS COMPOUNDS HAVING POLYSULFIDE BRIDGE CENTRE NAT RECH SCIENT (FR) 2006-03-01 EP disclosed
US-20060014635-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms FORESTIERE ALAIN 2006-01-19 US disclosed
US-20050202565-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2005-09-15 US disclosed
EP-1530577-A1 ORGANOPHOSPHOROUS COMPOUNDS HAVING POLYSULFIDE BRIDGE Centre National de la Recherche Scientifique (FR) 2005-05-18 EP disclosed
WO-2004016630-A1 ORGANOPHOSPHOROUS COMPOUNDS HAVING POLYSULFIDE BRIDGE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-02-26 WO disclosed
US-20020128150-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms INSTITUT FRANCAIS DU PETROLE (FR) 2002-09-12 US disclosed
US-5047533-A Viricides SRI INTERNATIONAL (US) 1991-09-10 US disclosed
EP-0309491-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-04-05 EP disclosed
WO-1988005438-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1988-07-28 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 (5 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-20060269926-A1 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization OXA1L, ORMDL3, INMT GRM4 1553/4885LPAR3 4373/4885LPAR2 4842/4885
US-20220089455-A1 METHOD FOR PRODUCING NANOPARTICLE HAVING METAL PARTICLE WHICH CONTAINS IRON OXIDE TO WHICH ONE OR MORE HYDROPHILIC LIGANDS ARE COORDINATION BONDED FTH1, HAMP, TFRC GRM4 3569/4885LPAR3 2981/4885LPAR2 3887/4885
US-20220209150-A1 DIAMONDOID COMPOUNDS CCND2, ZYX, CCNB2 GRM4 2447/4885LPAR3 1897/4885LPAR2 1260/4885
US-12336362-B2 Diamondoid compounds CCND2, ZYX, CCNB2 GRM4 2447/4885LPAR3 1897/4885LPAR2 1260/4885
US-20060014635-A1 Materials comprising organic groups containing sulphur and phosphorous bonded to a mineral oxide via oxygen atoms AP2M1, OPRM1, AP3M1 GRM4 461/4885LPAR3 4093/4885LPAR2 4348/4885

“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.