SCHEMBL2952176

SCHEMBL2952176

Cc1cccc(C(C)(C)C)c1OP(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.32
NLRP3 Q96P20 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN2A Q99250 2/20 0.32
KMT2A Q03164 1/20 0.31
SCN4A P35499 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11496623 0.90 CA2 (0.36) ALDH1A1GABRA1GABRB2CA2TSHR
SCHEMBL11494221 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CA2TSHRTDP1
SCHEMBL10343323 0.82 GABRA1 (0.50) ALDH1A1GABRA1GABRB2SMN1; SMN2KDM4E
SCHEMBL6549343 0.79 ALDH1A1 (0.36) ALDH1A1GABRA1GABRB2SMN1; SMN2CA2
SCHEMBL1160000 0.78 GABRA1 (0.48) ALDH1A1GABRA1GABRB2SMN1; SMN2KDM4E
SCHEMBL2368433 0.77 TDP1 (0.41) ALDH1A1KDM4EGAATSHRTDP1
SCHEMBL11488213 0.76 CYP1A2 (0.36) TSHR
SCHEMBL30640998 0.75 GABRA1 (0.50) ALDH1A1GABRA1GABRB2SMN1; SMN2KDM4E
SCHEMBL27692244 0.75 GABRA1 (0.50) ALDH1A1GABRA1GABRB2SMN1; SMN2KDM4E
SCHEMBL8389885 0.75 GABRA1 (0.50) ALDH1A1GABRA1GABRB2SMN1; SMN2KDM4E

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
EP-1472201-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF SE (DE) 2014-08-13 EP disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
EP-1470136-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AG (DE) 2007-03-28 EP disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1472201-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
EP-1470136-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-10-27 EP disclosed
WO-2003062171-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 WO disclosed
WO-2003062251-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 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 (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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B ALDH1A1 4228/4885GABRA1 3675/4885GABRB2 3777/4885

“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.