SCHEMBL12017334

SCHEMBL12017334

CCC1(CC)C=C(c2ccc(F)cc2)c2ccc(O)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
OPRK1 P41145 1/20 0.35
ESR1 P03372 7/20 0.35
ESR2 Q92731 3/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
MIF P14174 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL3030838 0.82 KDM4E (0.41) OPRD1KCNH2KDM4EALDH1A1OPRK1
SCHEMBL14666734 0.81 MAOB (0.41) ALDH1A1GAAPOLBNPSR1TDP1
SCHEMBL14666700 0.81
SCHEMBL9845343 0.81 OPRD1 (0.42) OPRD1KCNH2OPRK1
SCHEMBL12081758 0.77 NR3C2 (0.44) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL15062322 0.70 ESR2 (0.38) KDM4EALDH1A1ESR1ESR2GAA
SCHEMBL13430989 0.69 KDM4E (0.34) OPRD1KCNH2KDM4EALDH1A1MAOB
SCHEMBL11367750 0.68 ESR2 (0.44) OPRD1KCNH2KDM4EALDH1A1OPRK1
SCHEMBL12082011 0.67 RARA (0.46) OPRD1KCNH2GAARAB9AMEN1
SCHEMBL13431046 0.67 MEN1 (0.36) KDM4EALDH1A1ESR1ESR2GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R OPRD1 268/4885KCNH2 302/4885KDM4E 1296/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R OPRD1 320/4885KCNH2 364/4885KDM4E 1217/4885

“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.