SCHEMBL10253000

SCHEMBL10253000

Cc1cc(C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC7A5 Q01650 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL644658 0.92 SMPD1 (0.48) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL10253440 0.86 TDP1 (0.53) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL10252960 0.84 RXRA (0.57) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL9204010 0.82 RXRA (0.48) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL22601641 0.82 RXRA (0.46) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL10252815 0.81 L3MBTL1 (0.41) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL10253055 0.81 HPGD (0.41) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL9200286 0.79 RXRA (0.46) RXRARXRBRXRGFFAR4HPGD
SCHEMBL28903577 0.79 HPGD (0.52) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL30102553 0.79 HPGD (0.52) SMPD1HDAC1HDAC8HDAC6RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 SMPD1 3622/4885HDAC1 267/4885HDAC8 1184/4885

“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.