SCHEMBL3601136

SCHEMBL3601136

CC1(C)Oc2cc3c(cc2[C@H](N(CCc2ccccc2)C(=O)O)[C@H]1O)OCC(=O)N3

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 2/20 0.39
ABCB1 P08183 2/20 0.39
TRPV1 Q8NER1 4/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 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
SCHEMBL2008987 0.90 ABCB1 (0.42) TP53POLBMAPTTAAR1MEN1
SCHEMBL2008990 0.82 ABCB1 (0.39) ABCB1CYP3A4ALOX15
SCHEMBL3583727 0.82 ABCB1 (0.38) ABCB1CYP3A4ALOX15
SCHEMBL2869709 0.79 TP53 (0.47) TP53POLBMAPTTAAR1MEN1
SCHEMBL2009194 0.79 TP53 (0.47) TP53POLBMAPTTAAR1MEN1
SCHEMBL2878491 0.77 TP53 (0.49) TP53POLBMAPTTAAR1MEN1
SCHEMBL2878493 0.77 TP53 (0.42) TP53TAAR1PARP1LMNATRPV1
SCHEMBL2013291 0.75 TP53 (0.47) TP53POLBMAPTTAAR1MEN1
SCHEMBL3601953 0.75 ABCB1 (0.43) ABCB1CYP3A4ALOX15
SCHEMBL2010054 0.75 TP53 (0.47) TP53POLBMAPTTAAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 TP53 4332/4885POLB 3805/4885MAPT 4877/4885

“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.