SCHEMBL3965573

SCHEMBL3965573

CCOC(=O)CC1CCc2cc(OC3CCCC3)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HSD17B1 P14061 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PPARD Q03181 3/20 0.36
PDE4B Q07343 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL3967925 0.94 POLB (0.41) POLBHSD17B1HTR2AHTR2CHTR2B
SCHEMBL3964872 0.84 THRA (0.38) HSD17B1HTR2AHTR2CHTR2BNQO2
SCHEMBL3964420 0.81 HSD17B1 (0.44) HSD17B1HTR2AHTR2CHTR2BNQO2
SCHEMBL3969570 0.80 PPARD (0.52) HSD17B1PPARDMAOAMAOB
SCHEMBL3961926 0.79 HTR2A (0.52) HSD17B1HTR2AHTR2CPPARD
SCHEMBL21538693 0.78 NQO2 (0.56) HSD17B1NQO2MTNR1AMTNR1BPPARD
SCHEMBL3965811 0.78 CYP11B1 (0.40) HSD17B1PPARDCYP11B1CYP11B2MAOA
SCHEMBL3965925 0.77 HSD17B1 (0.38) POLBHSD17B1PPARDCYP11B1CYP11B2
SCHEMBL3966636 0.76 CYP11B1 (0.38) HSD17B1PPARDCYP11B1CYP11B2
SCHEMBL23934297 0.75 NQO2 (0.47) HSD17B1NQO2MTNR1AMTNR1BPPARD

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN 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 POLB 3626/4885HSD17B1 452/4885HTR2A 760/4885

“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.