SCHEMBL3179633

SCHEMBL3179633

OCC=Cc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.61
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 2/20 0.57
RECQL P46063 1/20 0.57
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCND1 P24385 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
FBP1 P09467 1/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PTGS1 P23219 1/20 0.44

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
SCHEMBL3179626 1.00 LCK (0.61) LCKALDH1A1CYP3A4RECQLCCNB2
SCHEMBL31031626 1.00 LCK (0.61) LCKALDH1A1CYP3A4RECQLCCNB2
SCHEMBL9272281 0.87 ALDH1A1 (0.59) LCKALDH1A1CYP3A4RECQLCCNB2
SCHEMBL9281030 0.87 ALDH1A1 (0.59) LCKALDH1A1CYP3A4RECQLCCNB2
SCHEMBL2512334 0.82 LCK (0.86) LCKALDH1A1CYP3A4CCNB2CDK1
SCHEMBL2512336 0.82 LCK (0.86) LCKALDH1A1CYP3A4CCNB2CDK1
SCHEMBL13338339 0.82 LCK (0.86) LCKALDH1A1CYP3A4CCNB2CDK1
SCHEMBL12524047 0.82 LCK (0.59) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL12426094 0.82 LCK (0.59) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL16956970 0.82 LCK (0.59) LCKCCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 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 (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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 LCK 3679/4885ALDH1A1 3727/4885CYP3A4 4730/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD LCK 3923/4885ALDH1A1 257/4885CYP3A4 540/4885

“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.