SCHEMBL9944157

SCHEMBL9944157

Cc1cc(C(=O)O)cc(OC(C)C)c1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TPMT P51580 3/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
PTGS2 P35354 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXRG P48443 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
SCHEMBL11893913 0.90 TPMT (0.54) KMT2ACA12CA1CA2CA4
SCHEMBL1458531 0.89 KMT2A (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL2542478 0.89 KMT2A (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL9944124 0.83 MAPT (0.50) KMT2ACA12CA2CA9PKM
SCHEMBL1458091 0.82 TPMT (0.56) KMT2ACA12CA1CA2CA4
SCHEMBL1459275 0.81 TPMT (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL1459414 0.80 KMT2A (0.48) KMT2ACA12CA1CA2CA4
SCHEMBL986919 0.79 TPMT (0.61) KMT2ACA12CA1CA2CA4
SCHEMBL1458060 0.78 TSHR (0.51) KMT2ATPMTRXRARXRBALDH1A1
SCHEMBL1457785 0.78 RXRA (0.44) KMT2ACA12CA1CA2CA4

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-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 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 (2 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KMT2A 1418/4885CA12 4325/4885CA1 1797/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KMT2A 1418/4885CA12 4325/4885CA1 1797/4885

“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.