SCHEMBL8870570

SCHEMBL8870570

Oc1ccc2oc3c(c2c1)CCCCC3

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.96
CYP3A4 P08684 2/20 0.96
CYP2C19 P33261 1/20 0.96
PRKD1 Q15139 3/20 0.55
TP53 P04637 5/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4395752 0.98 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL30392254 0.98 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL3143409 0.84 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C19PRKD1ALDH1A1
SCHEMBL10791718 0.81 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL30663248 0.79 CYP3A4 (0.68) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL10793789 0.79 ALDH1A1 (0.77) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL3866703 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19TP53ALDH1A1
SCHEMBL15781372 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19TP53HSD17B10
SCHEMBL3864592 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19TP53ALDH1A1
SCHEMBL10401284 0.78 CYP3A4 (0.66) CYP1A2CYP3A4CYP2C19PRKD1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995027715-A2 METHOD OF MANUFACTURE OF (-)GALANTHAMINE IN HIGH YIELD AND PURITY SUBSTANTIALLY FREE OF EPIGALANTHAMINE CIBA-GEIGY CORPORATION (US) 1995-10-19 WO claimed
US-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-30 US disclosed
CN-112225713-B Synthesis process of 5-hydroxybenzofuran compound 华东理工大学 2023-02-28 CN disclosed
CN-112225713-A Synthesis process of 5-hydroxybenzofuran compound 华东理工大学 2021-01-15 CN disclosed
WO-2013033245-A1 BICYCLIC METHYLENE AZIRIDINES AND REACTIONS THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-07 WO disclosed
US-5604280-A PHOTOCHROMIC ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1997-02-18 US disclosed
WO-1995027716-A1 6,7-HETEROANNEALED 2,2-DIPHENYL CHROMENES AND USE THEREOF IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1995-10-19 WO disclosed
WO-1995027715-A2 METHOD OF MANUFACTURE OF (-)GALANTHAMINE IN HIGH YIELD AND PURITY SUBSTANTIALLY FREE OF EPIGALANTHAMINE CIBA-GEIGY CORPORATION (US) 1995-10-19 WO disclosed
EP-0676401-A1 Annelated spirofluorene-2H-benzopyrans and their use in ophthalmic optics ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1995-10-11 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-20230382919-A1 OXA- IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRIA4, GRIA3, GRIN3A CYP1A2 400/4885CYP3A4 238/4885CYP2C19 629/4885

“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.