SCHEMBL2863686

SCHEMBL2863686

COCCOc1ccc(C(=O)P(=O)(O)O)cc1Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
FFAR4 Q5NUL3 4/20 0.43
FFAR1 O14842 3/20 0.43
SLC6A9 P48067 1/20 0.43
PPARG P37231 3/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
SRD5A2 P31213 1/20 0.40
THRA P10827 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
GGPS1 O95749 1/20 0.38

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
SCHEMBL2868576 0.93 SRD5A2 (0.45) ESR1SLC6A9PPARGPPARDPPARA
SCHEMBL2863721 0.93 FFAR4 (0.44) ESR1FFAR4FFAR1SLC6A9PPARG
SCHEMBL2866399 0.88 FFAR4 (0.41) ESR1FFAR4FFAR1SLC6A9PPARG
SCHEMBL2870973 0.86 SRD5A2 (0.46) ESR1SLC6A9PPARGPPARDPPARA
SCHEMBL2864817 0.83 SRD5A2 (0.45) ESR1PPARGPPARDPPARASRD5A2
SCHEMBL2866515 0.83 SRD5A2 (0.45) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL2863528 0.82 ESR1 (0.44) ESR1FFAR4FFAR1SLC6A9PPARG
SCHEMBL2871484 0.81 SRD5A2 (0.47) FFAR1SRD5A2
SCHEMBL2872127 0.80 SMN1; SMN2 (0.46) SRD5A2THRAS1PR1S1PR3
SCHEMBL2871447 0.78 THRA (0.50) THRAS1PR1S1PR3

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 ESR1 105/4885FFAR4 1541/4885FFAR1 416/4885

“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.