SCHEMBL16742201

SCHEMBL16742201

CC=CCOc1ccc(C(=O)O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL18130258 1.00 THRA (0.44) THRATHRBALDH1A1TSHRLMNA
SCHEMBL16742176 0.86 NOTUM (0.47) THRATHRBALDH1A1LMNAMEN1
SCHEMBL16744293 0.86 NOTUM (0.47) THRATHRBALDH1A1LMNAMEN1
SCHEMBL4506502 0.80 TSHR (0.66) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL9622873 0.79 F2 (0.56) THRATHRBALDH1A1TSHRLMNA
SCHEMBL177193 0.77 THRA (0.56) THRATHRBALDH1A1TSHRLMNA
SCHEMBL8133907 0.77 ALDH1A1 (0.51) THRATHRBALDH1A1TSHRLMNA
SCHEMBL11364819 0.76 THRA (0.66) THRATHRBALDH1A1TSHRMEN1
SCHEMBL15067519 0.75 F2 (0.51) THRATHRBALDH1A1TSHRLMNA
SCHEMBL17546984 0.75 HTR2A (0.40) TSHRLMNAMAPTAKR1C3

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-9822103-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 US disclosed
WO-2015077194-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 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 (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-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 THRA 3767/4885THRB 3251/4885ALDH1A1 2207/4885

“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.