SCHEMBL2865052

SCHEMBL2865052

O=C(Cl)c1ccc(Cc2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARG P37231 7/20 0.39
PPARA Q07869 6/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
LTA4H P09960 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NR4A2 P43354 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL2871061 0.93 SRD5A2 (0.51) SRD5A2PTGDR2FFAR1PPARGPPARA
SCHEMBL2871140 0.92 FFAR4 (0.47) SRD5A2PTGDR2FFAR1MCL1FFAR4
SCHEMBL2863748 0.84 S1PR1 (0.42) SRD5A2ACACBACACAPTGDR2MMP12
SCHEMBL29130679 0.83 ALOX5 (0.44) HPGD
SCHEMBL2865230 0.82 NR4A2 (0.52) SRD5A2FFAR1PPARGPPARAHPGD
SCHEMBL2864616 0.77 POLB (0.46) HPGD
SCHEMBL2863765 0.77 FFAR4 (0.44) SRD5A2FFAR1HPGDMCL1FFAR4
SCHEMBL2870215 0.76 SRD5A2 (0.48) SRD5A2PTGDR2FFAR1HPGDLTA4H
SCHEMBL2872180 0.76 POLB (0.48) ACACB
SCHEMBL2869145 0.75 MAPT (0.46) PTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R SRD5A2 69/4885ACACB 3538/4885ACACA 3166/4885

“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.