SCHEMBL1028623

SCHEMBL1028623

Cc1ccc(C2(C)OCCO2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
CASP1 P29466 1/20 0.42
TSHR P16473 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 4/20 0.39
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL3011055 0.80 ALDH1A1 (0.42) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL19507134 0.74 SMN1; SMN2 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL3884112 0.74 CYP19A1 (0.40) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL3212086 0.72 TSHR (0.41) ALDH1A1TDP1CASP1TSHRSMN1; SMN2
SCHEMBL2082178 0.71 LMNA (0.42) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL3786132 0.69 SMN1; SMN2 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL22613508 0.69 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL10839815 0.68 MAPT (0.51) ALDH1A1TDP1CASP1TSHRSMN1; SMN2
SCHEMBL12069439 0.68 SMN1; SMN2 (0.45) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL855229 0.68 CHRNA1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAMAPT

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ALDH1A1 180/4885TDP1 4245/4885CASP1 638/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885TDP1 744/4885CASP1 2618/4885

“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.