SCHEMBL2013291

SCHEMBL2013291

CC1(C)Oc2cc3c(cc2[C@H](NCCc2ccccc2)[C@H]1O)NC(=O)CO3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PARP1 P09874 2/20 0.43
ABCB1 P08183 3/20 0.43
KCNA5 P22460 6/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2010054 1.00 TP53 (0.47) TP53TAAR1PARP1ABCB1KCNA5
SCHEMBL2009194 0.96 TP53 (0.47) TP53TAAR1PARP1ABCB1KCNA5
SCHEMBL2869709 0.96 TP53 (0.47) TP53TAAR1PARP1ABCB1KCNA5
SCHEMBL13093985 0.84 KCNA5 (0.43) TP53TAAR1ABCB1KCNA5ALDH1A1
SCHEMBL2009000 0.83 ABCB1 (0.46) TAAR1ABCB1KCNA5MEN1KMT2A
SCHEMBL2009002 0.83 ABCB1 (0.46) TAAR1ABCB1KCNA5MEN1KMT2A
SCHEMBL2878493 0.81 TP53 (0.42) TP53TAAR1PARP1LMNA
Fumaric Acid SCHEMBL2881096 0.80 ABCB1 (0.42) TAAR1ABCB1KCNA5ALDH1A1RAB9A
Maleic Acid SCHEMBL3598910 0.80 ABCB1 (0.42) TAAR1ABCB1KCNA5ALDH1A1RAB9A
Maleic Acid SCHEMBL2007221 0.80 ABCB1 (0.42) TAAR1ABCB1KCNA5ALDH1A1RAB9A

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
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 TP53 4332/4885TAAR1 998/4885PARP1 2934/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A TP53 4752/4885TAAR1 1212/4885PARP1 2946/4885

“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.