SCHEMBL368800

SCHEMBL368800

COC(=O)c1cccc(Oc2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccc(Cl)cc3C)cc2)c1Oc1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccc(Cl)cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.35
KMT2A Q03164 2/20 0.35
PTGER4 P35408 2/20 0.34
PTGER2 P43116 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
PNLIP P16233 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL370635 0.88 BRD4 (0.40) KMT2ATDP1
SCHEMBL368801 0.87 P2RX3 (0.42) FFAR1LMNAL3MBTL1CREBBP
SCHEMBL369275 0.86 P2RX3 (0.39) FFAR1PTGER4PTGER2CYP1A2CYP2C19
SCHEMBL1390419 0.85 LMNA (0.43) FFAR1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL1390299 0.83 TDP1 (0.33) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL370200 0.83 BRD4 (0.37) KMT2APTGER4CYP1A2CYP2C19ALDH1A1
SCHEMBL368992 0.82 CREBBP (0.41) KMT2ACREBBP
SCHEMBL370383 0.82 CYP1A2 (0.36) KMT2ACYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL370636 0.81 BRD4 (0.37) PTGER4PTGER2LMNAL3MBTL1
SCHEMBL368539 0.81 FFAR1 (0.37) FFAR1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 FFAR1 14/4885KMT2A 3981/4885PTGER4 103/4885

“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.