SCHEMBL9944357

SCHEMBL9944357

CCCCOc1c(O)cc(C(=O)OC)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
TPMT P51580 1/20 0.49
LMNA P02545 2/20 0.49
XDH P47989 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GALK1 P51570 1/20 0.47
HPGD P15428 1/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL12793478 0.89 ESR1 (0.58) ESR1LMNAXDHKDM4EPOLB
SCHEMBL6558609 0.87 GALK1 (0.51) ESR1GALK1AKR1C4AKR1C3AKR1C2
SCHEMBL15662529 0.84 PLAU (0.49) ESR1TPMTLMNAXDHKDM4E
SCHEMBL11342529 0.83 ESR1 (0.60) ESR1LMNAXDHKDM4EPOLB
SCHEMBL28713282 0.83 ESR1 (0.60) ESR1LMNAXDHKDM4EPOLB
SCHEMBL21854488 0.81 PLAU (0.49) ESR1TPMTLMNAXDHKDM4E
SCHEMBL9944358 0.81 ESR1 (0.46) ESR1LMNAGALK1PPARGPPARA
SCHEMBL15662729 0.79 KDM4E (0.44) ESR1KDM4EPOLBGAATDP1
SCHEMBL5157109 0.79 ESR1 (0.62) ESR1LMNAXDHKDM4EPOLB
SCHEMBL7997525 0.78 SLC6A5 (0.50) MAPTNPC1CASP1RAB9A

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 4 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
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO 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 ESR1 110/4885TPMT 2218/4885LMNA 1825/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ESR1 110/4885TPMT 2218/4885LMNA 1825/4885

“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.