SCHEMBL1390302

SCHEMBL1390302

CON(C)C(=O)CC(c1ccc(C)cc1)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 4/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
UTS2R Q9UKP6 6/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
FFAR1 O14842 1/20 0.40
GRIA4 P48058 1/20 0.38
MAP4K4 O95819 1/20 0.38
ADRB3 P13945 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
SCHEMBL1390285 0.84 GPBAR1 (0.53) ALDH1A1SMN1; SMN2SRD5A2RXRARXRB
SCHEMBL363503 0.84 GPBAR1 (0.53) ALDH1A1SMN1; SMN2SRD5A2RXRARXRB
SCHEMBL1390580 0.83 GPBAR1 (0.52) ALDH1A1SMN1; SMN2SRD5A2RXRARXRB
SCHEMBL1395398 0.82 TDP1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL362624 0.77 TDP1 (0.56)
Lithium Ion SCHEMBL363471 0.75 GPBAR1 (0.44) ALDH1A1SMN1; SMN2UTS2R
SCHEMBL15949106 0.73 KMT2A (0.44) ALDH1A1SMN1; SMN2
SCHEMBL13496178 0.73 FAAH (0.38) UTS2RALOX5FFAR1
SCHEMBL13888048 0.72 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2SRD5A2RXRARXRB
SCHEMBL308875 0.72 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2SRD5A2RXRARXRB

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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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 ALDH1A1 132/4885SMN1; SMN2 2264/4885SRD5A2 735/4885

“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.