SCHEMBL3965744

SCHEMBL3965744

CCOC(=O)C=C1CCc2c1ccc(NCCc1ccccc1)c2-c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CCR8 P51685 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3965739 1.00 MAPT (0.38) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3971870 0.88 RAB9A (0.35) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3971864 0.88 RAB9A (0.35) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3965742 0.80 CCNC (0.38) MAPTLMNACCNCCDK8SLC6A2
SCHEMBL3969775 0.78 TAAR1 (0.41) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3962266 0.76 CCNC (0.38) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3962264 0.76 CCNC (0.38) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3971865 0.68 ACHE (0.37) MEN1KMT2A
SCHEMBL3966174 0.65 MAOB (0.51) ALDH1A1LMNAMEN1KMT2A
SCHEMBL3966171 0.65 MAOB (0.51) ALDH1A1LMNAMEN1KMT2A

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MAPT 4848/4885ALDH1A1 1731/4885LMNA 1739/4885

“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.