SCHEMBL3030838

SCHEMBL3030838

CC1(C)C=C(c2ccc(F)cc2)c2ccc(O)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
OPRD1 P41143 3/20 0.41
KCNH2 Q12809 3/20 0.41
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
MIF P14174 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.35

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
SCHEMBL11367750 0.85 ESR2 (0.44) KDM4EALDH1A1OPRD1KCNH2RARA
SCHEMBL12082011 0.84 RARA (0.46) OPRD1KCNH2RARARARBRARG
SCHEMBL13566250 0.83 ESR2 (0.44) KDM4EALDH1A1OPRD1KCNH2RARA
SCHEMBL3023515 0.83 RARA (0.38) KDM4ERARARARBRARGPPARG
SCHEMBL3027431 0.83 NPC1 (0.40) KDM4ERARARARBRARGRAB9A
SCHEMBL12017334 0.82 OPRD1 (0.43) KDM4EALDH1A1OPRD1KCNH2ESR1
SCHEMBL3023824 0.80 KDM4E (0.37) KDM4EALDH1A1OPRD1KCNH2RARA
SCHEMBL14666717 0.80 RARA (0.38) ALDH1A1RARARARBRARGMEN1
SCHEMBL13214224 0.80 RARA (0.39) ALDH1A1RARARARBRARGPPARG
SCHEMBL11361462 0.80 RARA (0.46) KDM4EALDH1A1OPRD1KCNH2RARA

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 13 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-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
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KDM4E 1296/4885ALDH1A1 4156/4885OPRD1 268/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KDM4E 1217/4885ALDH1A1 4064/4885OPRD1 320/4885

“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.