SCHEMBL2952179

SCHEMBL2952179

Cc1cccc(C(C)(C)C)c1Oc1cccc(P)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SCN2A Q99250 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL2958282 0.81 TDP1 (0.36) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL11772725 0.77 GABRA1 (0.54) ALDH1A1GABRA1GABRB2HSP90AA1KDM4E
SCHEMBL2913643 0.75 GABRA1 (0.59) ALDH1A1GABRA1GABRB2KDM4ESMN1; SMN2
SCHEMBL18997226 0.74 GABRA1 (0.47) ALDH1A1GABRA1GABRB2HSP90AA1KDM4E
SCHEMBL2910704 0.74 GABRA1 (0.49) ALDH1A1GABRA1GABRB2KDM4ESMN1; SMN2
SCHEMBL2187554 0.73 CA2 (0.44) ALDH1A1GABRA1GABRB2CA2
SCHEMBL3773648 0.73 HDAC1 (0.36) ALDH1A1KDM4EGAAHTR1ASLC6A2
SCHEMBL2960193 0.72 APEX1 (0.41) KDM4ECYP3A4CYP2C19CA2
SCHEMBL25490589 0.69 GABRA1 (0.46) ALDH1A1GABRA1GABRB2KDM4ESMN1; SMN2
SCHEMBL28478138 0.68 CA2 (0.43) ALDH1A1GABRA1GABRB2KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 — — 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-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.

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