SCHEMBL9895819

SCHEMBL9895819

CCOC(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
CASP3 P42574 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PTPN1 P18031 1/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL9895911 0.85 KMT2A (0.48) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL9896517 0.83 PTGS1 (0.57) ALDH1A1PPARGPTGS1PTGS2PTPN1
SCHEMBL62862 0.80 KMT2A (0.75) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL4570567 0.80 KMT2A (0.75) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL21715051 0.78 PTGS1 (0.48) SMN1; SMN2PPARGEPHX2PTGS1PTGS2
SCHEMBL29174149 0.78 LDHA (0.59) KMT2AMEN1ALDH1A1POLBPPARG
Hydrochloric Acid SCHEMBL28579442 0.78 KMT2A (0.73) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL4664796 0.77 PPARA (0.56) ALDH1A1PPARGEPHX2PTGS1PTGS2
SCHEMBL7216773 0.76 SMN1; SMN2 (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4049821 0.76 KMT2A (0.61) KMT2AMEN1MAPTCASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 KMT2A 4754/4885MEN1 2326/4885MAPT 3543/4885

“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.