SCHEMBL162735

SCHEMBL162735

CCCCOC(=O)c1cc([O])ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C9 P11712 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR1 P03372 8/20 0.46
LMNA P02545 5/20 0.46
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL162636 0.91 ALDH1A1 (0.48) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL8408330 0.85 L3MBTL1 (0.55) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL15842178 0.85 ESR1 (0.54) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL15956090 0.85 TSHR (0.50) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL23189019 0.85 TSHR (0.50) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL159881 0.84 CYP1A2 (0.51) TSHRCYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL5700005 0.84 SMN1; SMN2 (0.50) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL5700280 0.84 L3MBTL1 (0.52) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL5700217 0.84 ESR1 (0.50) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL2360263 0.81 TSHR (0.50) TSHRCYP1A2CYP2C19CYP3A4ALDH1A1

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885CYP1A2 4010/4885CYP2C19 4178/4885

“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.