SCHEMBL13744845

SCHEMBL13744845

COCC(=O)N1CCC(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP2D6 P10635 2/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL8430270 0.87 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2MAPTNPC1
SCHEMBL3400613 0.85 NCF1 (0.44) KMT2AALDH1A1CYP1A2MAPTNPC1
SCHEMBL14393798 0.84 GNAI3 (0.47) KMT2AALDH1A1CYP1A2POLB
SCHEMBL14611310 0.84 ALDH1A1 (0.43) KMT2AALDH1A1CYP1A2CYP2D6RAB9A
SCHEMBL10313328 0.82 KMT2A (0.46) KMT2AALDH1A1CYP1A2MAPTNPC1
SCHEMBL7706487 0.82 ALDH1A1 (0.60) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL22732630 0.82 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL21430676 0.82 ALDH1A1 (0.42) KMT2AALDH1A1CYP1A2MAPTPOLB
SCHEMBL8253329 0.82 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2MAPTNPC1
SCHEMBL3579662 0.81 RAB9A (0.43) KMT2AALDH1A1MAPTNPC1ALOX5

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 KMT2A 1518/4885ALDH1A1 693/4885CYP1A2 87/4885

“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.