SCHEMBL3587637

SCHEMBL3587637

CC(CC1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 5/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 3/20 0.41

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
SCHEMBL278375 0.86 GAA (0.46) GAAL3MBTL1BCHE
SCHEMBL29706727 0.84 GAA (0.47) GAAL3MBTL1TAAR1BCHE
SCHEMBL20842979 0.82 CTSS (0.45) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL16191094 0.81 RIPK1 (0.50) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL29706730 0.81 SLC6A2 (0.54) GAAHPGDRAB9A
SCHEMBL8326386 0.81 GBA1 (0.50) TAAR1
SCHEMBL7473420 0.81 TAAR1 (0.45) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL6565744 0.80 GAA (0.46) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL18091210 0.80 GAA (0.44) GAAL3MBTL1BCHE
SCHEMBL21226993 0.80 SLC6A4 (0.48) GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP disclosed
EP-1996538-A1 METHOD FOR PREPARATION OF AROMATIC CHLOROFORMATES Sabic Innovative Plastics IP B.V. (NL) 2008-12-03 EP disclosed
WO-2007001757-A1 METHOD FOR PREPARATION OF AROMATIC CHLOROFORMATES GENERAL ELECTRIC COMPANY (US) 2007-01-04 WO 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO GAA 298/4885L3MBTL1 744/4885CYP3A4 1588/4885

“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.