SCHEMBL3013578

SCHEMBL3013578

CCC(CCC(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.61
MAPK1 P28482 1/20 0.61
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.43
SLC1A3 P43003 3/20 0.43
GCLC P48506 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL28619584 0.85 CA2 (0.61) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL5526716 0.84 CHRM1 (0.70) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL19528699 0.84 CHRM1 (0.42) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL28000329 0.83
SCHEMBL10897254 0.80 CA2 (0.81) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL14360108 0.80 CA2 (0.81) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL6441158 0.80 FOLH1 (0.56) CA2MAPK1CHRM1AKR1A1CHRM3
Chloromethane SCHEMBL28143162 0.80 CA2 (0.64) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL125406 0.80 CA2 (0.71) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL6114 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4641061-A1 OIL-WELL METAL PIPE NIPPON STEEL CORPORATION (JP) 2025-10-29 EP claimed
WO-2024135464-A1 OIL-WELL METAL PIPE 日本製鉄株式会社 2024-06-27 WO claimed
EP-4641061-A1 OIL-WELL METAL PIPE NIPPON STEEL CORPORATION (JP) 2025-10-29 EP disclosed
WO-2024135464-A1 OIL-WELL METAL PIPE 日本製鉄株式会社 2024-06-27 WO disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
US-20100173241-A1 POSITIVELY-CHARGEABLE TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2010-07-08 US disclosed
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 US disclosed
US-6194143-B1 MEASUREMENT ACTIVITY BY MONITORING SUBSTRATE CLEAVAGE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-02-27 US disclosed
EP-0948640-A2 IMPROVED SUBSTRATES FOR HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-10-13 EP disclosed
EP-0948523-A1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-10-13 EP disclosed
WO-1998029562-A2 IMPROVED SUBSTRATES FOR HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-07-09 WO disclosed
WO-1998029435-A1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-07-09 WO disclosed
US-3932285-A MONOCARBOXYLIC ACID TENNECO CHEMICALS, INC. (US) 1976-01-13 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 (1 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 CA2 3783/4885MAPK1 1170/4885CHRM1 1760/4885

“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.