SCHEMBL9168218

SCHEMBL9168218

COC(=O)C1(Cc2ccc(F)cc2)CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
TSHR P16473 3/20 0.41
CYP2C19 P33261 6/20 0.38
CYP2C9 P11712 4/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL8830812 0.88 TACR1 (0.45) TACR1TACR3TSHRCYP2C19CYP2C9
SCHEMBL2039023 0.86 TACR1 (0.44) TACR1TACR3CYP2C19MAPTSMN1; SMN2
SCHEMBL22211342 0.86 TACR1 (0.44) TACR1TACR3TSHRCYP2C19CYP2C9
SCHEMBL4809720 0.86 TACR1 (0.55) TACR1TACR3TSHRCYP2C19CYP2C9
SCHEMBL26679406 0.85 TACR3 (0.57) TACR1TACR3CYP2C19CYP3A4MAPT
SCHEMBL8830633 0.84 TACR1 (0.51) TACR1TACR3TSHRCYP2C19CYP2C9
SCHEMBL8830792 0.84 TACR1 (0.43) TACR1TACR3MAPTMAPK1SMN1; SMN2
SCHEMBL7792172 0.83 TACR1 (0.42) TACR1TACR3TSHRCYP2C19CYP2C9
SCHEMBL22211320 0.83 TACR1 (0.42) TACR1TACR3TSHRCYP2C19CYP3A4
SCHEMBL8830648 0.83 GPR119 (0.45) TACR1TACR3TSHRCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719695-B1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-05-18 EP disclosed
US-9241488-B2 Azole derivative, method for producing azole derivative, and intermediate compound KUREHA CORPORATION (JP) 2016-01-26 US disclosed
US-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-24 US disclosed
EP-2719695-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND Kureha Corporation (JP) 2014-04-16 EP disclosed
EP-0571267-B1 Use of azole derivatives for the preparation of drugs useful for inhibiting the aromatase and treating of estrogen-dependent diseases KUREHA CHEMICAL IND CO LTD (JP) 1995-04-26 EP disclosed
US-5286737-A Benzyl, cyclopentane azole derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0571267-A1 Use of azole derivatives for the preparation of drugs useful for inhibiting the aromatase and treating of estrogen-dependent diseases KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-11-24 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-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND CBR3, CYP4F3, CYP4F11 TACR1 1941/4885TACR3 406/4885TSHR 2474/4885

“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.