SCHEMBL3035643

SCHEMBL3035643

ClP(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA4 P22748 1/20 0.36
KCNA3 P22001 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 1/20 0.31
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL932517 0.76 LTA4H (0.45) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL991332 0.76 LTA4H (0.45) LTA4HTSHRTDP1CA4KCNA3
SCHEMBL195629 0.74 LTA4H (0.43) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL195903 0.74 LTA4H (0.43) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL28048701 0.73 LTA4H (0.38) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL7615332 0.72 LTA4H (0.41) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL3946937 0.72 LTA4H (0.48) LTA4HTSHRTDP1CA4KCNA3
SCHEMBL1264005 0.72 TDP1 (0.41) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL12949871 0.72 TSHR (0.38) TSHRCYP3A4KMT2AALDH1A1
SCHEMBL11664687 0.71 LTA4H (0.36) LTA4HTSHRCYP3A4TDP1CA4

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 5 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
CN-1300156-C Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2007-02-14 CN disclosed
CN-1622948-A Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2005-06-01 CN 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 LTA4H 3084/4885TSHR 1936/4885CYP3A4 4671/4885

“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.