SCHEMBL21865868

SCHEMBL21865868

c1ccc2c(c1)CN(Cc1ccc(CN3COc4ccccc4C3)cc1)CO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
SIGMAR1 Q99720 4/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 4/20 0.39

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
SCHEMBL28677044 0.95 CYP1A2 (0.62) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL12451410 0.88 CYP1A2 (0.51) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL20612947 0.86 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL19404392 0.85 CYP2D6 (0.48) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL23335790 0.84 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL29356128 0.83 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL94736 0.83 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL13224414 0.83 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL15358762 0.81 CYP2D6 (0.59) CYP1A2CYP2D6CYP3A4HIF1ASIGMAR1
SCHEMBL8034574 0.80 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4HIF1ACYP2C19

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-3887470-B1 GLASS-RESIN COMPOSITE-BASED MULTI-COMPOSITE MATERIAL MICHELIN & CIE (FR) 2023-01-04 EP disclosed
EP-3887472-B1 GLASS-RESIN COMPOSITE-BASED MULTI-COMPOSITE MATERIAL MICHELIN & CIE (FR) 2023-01-04 EP disclosed
US-20220002194-A1 GLASS-RESIN COMPOSITE-BASED MULTI-COMPOSITE MATERIAL COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2022-01-06 US disclosed
US-10800795-B2 Borated benzoxazine for use in the synthesis of polybenzoxazine COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-10-13 US disclosed
US-20200115394-A1 BORATED BENZOXAZINE FOR USE IN THE SYNTHESIS OF POLYBENZOXAZINE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-04-16 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 (2 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-10800795-B2 Borated benzoxazine for use in the synthesis of polybenzoxazine PBRM1, BRIX1, BMX CYP1A2 277/4885CYP2D6 418/4885CYP3A4 533/4885
US-20200115394-A1 BORATED BENZOXAZINE FOR USE IN THE SYNTHESIS OF POLYBENZOXAZINE PBRM1, BRIX1, BMX CYP1A2 277/4885CYP2D6 418/4885CYP3A4 533/4885

“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.