SCHEMBL4861336

SCHEMBL4861336

C=CCN1c2ccccc2COc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.41
TSHR P16473 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL474524 0.83 TSHR (0.56) TSHRLMNAPOLBMEN1KMT2A
SCHEMBL14732501 0.79 HTR2A (0.50) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL30493438 0.79 HTR2A (0.50) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL11567064 0.79 ADRA1D (0.47) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL1158848 0.79 GAA (0.42) TSHRLMNAMEN1KMT2AL3MBTL1
SCHEMBL6806107 0.75 HSD17B3 (0.45) HSD17B3TSHRLMNAPOLBMEN1
SCHEMBL30144051 0.75 POLB (0.51) HSD17B3TSHRPOLBKMT2AL3MBTL1
SCHEMBL369600 0.74 GAA (0.49) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL8195857 0.73 HTR2A (0.45) HSD17B3TSHRADRA1ALMNAPOLB
SCHEMBL6807700 0.73 MEN1 (0.50) HSD17B3TSHRLMNAPOLBMEN1

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-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 HSD17B3 52/4885TSHR 3437/4885ADRA1D 46/4885

“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.