SCHEMBL3962224

SCHEMBL3962224

CCOC(=O)CC1CCc2cc(NCCc3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.42
FFAR1 O14842 2/20 0.41
PPARA Q07869 7/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 6/20 0.41
HSD17B1 P14061 1/20 0.40

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
SCHEMBL3966013 0.81 PPARD (0.46) PPARDFFAR1PPARAHSD17B1
SCHEMBL12798673 0.79 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL3964811 0.78 FFAR1 (0.63) PPARDFFAR1PPARAPPARG
SCHEMBL3962243 0.77 PPARD (0.48) PPARDFFAR1PPARAPPARGHSD17B1
SCHEMBL16077453 0.76 PPARD (0.53) PPARDFFAR1PPARAPPARGHSD17B1
SCHEMBL13284781 0.76 PPARD (0.53) PPARDFFAR1PPARAPPARGHSD17B1
SCHEMBL30618514 0.76 CYP1A2 (0.47) PPARDFFAR1ALDH1A1HSD17B1
SCHEMBL3348647 0.76 CYP1A2 (0.47) PPARDFFAR1ALDH1A1HSD17B1
SCHEMBL820900 0.75 HSD17B1 (0.61) PPARDFFAR1PPARAMAPTHSD17B1
SCHEMBL30515129 0.75 HSD17B1 (0.61) PPARDFFAR1PPARAMAPTHSD17B1

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 PPARD 88/4885FFAR1 111/4885PPARA 120/4885

“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.