SCHEMBL6722173

SCHEMBL6722173

CC(C)(Cc1ccccc1)C([O])=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
RIPK1 Q13546 3/20 0.46
TRPA1 O75762 1/20 0.46
CES1 P23141 2/20 0.45
MMP8 P22894 3/20 0.45
CYP1A2 P05177 2/20 0.45
RECQL P46063 1/20 0.45
FDPS P14324 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MAPK1 P28482 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
SCHEMBL1147656 0.84 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL517462 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL28727407 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL28246706 0.83 HIF1A (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL8759 0.83 SLC6A2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL6552350 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL9784950 0.81 TRPA1 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
Hydrochloric Acid SCHEMBL3136989 0.81 SLC6A2 (0.54) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL2175542 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
Ammonia Solution, Strong SCHEMBL11617477 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
US-6380259-B2 SUCH AS CHRONIC BRONCHITIS, COMPOUNDS SUCH AS 4-(5-(4-(AMINOIMINOMETHYL)PHENOXY)PENTOXY)-2-HYDROXY-N,N-BIS-( 1-METHYLETHYL)BENZAMIDE (Z)-2-BUTENEDIOATE NOVARTIS AG (CH) 2002-04-30 US disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5455274-A Leukotriene antagonists; treating rheumatoid arthritis CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0669909-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT Novartis AG (CH) 1995-09-06 EP disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0601977-A1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor anagonists CIBA-GEIGY AG (CH) 1994-06-15 EP disclosed
WO-1994011341-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA-GEIGY AG (CH) 1994-05-26 WO disclosed
US-5246965-A Leukotriene antagonist CIBA-GEIGY (US) 1993-09-21 US disclosed
EP-0518818-A2 Arylethers, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 SMN1; SMN2 2152/4885HIF1A 1390/4885SLC6A2 4298/4885

“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.