SCHEMBL6825622

SCHEMBL6825622

O=C1/C(=C\c2ccncc2)CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 1.00
MIF P14174 7/20 1.00
CYP11B2 P19099 4/20 1.00
PKM P14618 2/20 1.00
MAPK1 P28482 1/20 1.00
MAOB P27338 2/20 0.77
CYP11B1 P15538 2/20 0.77
TNF P01375 2/20 0.75
ALDH1A1 P00352 2/20 0.72
KMT2A Q03164 1/20 0.72
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL13851846 1.00 CYP19A1 (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL6825625 1.00 CYP19A1 (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL29679848 0.87 MAOB (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL4230792 0.87 CYP19A1 (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL29546087 0.87 MAOB (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL4230787 0.87 CYP19A1 (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL4230798 0.87 CYP19A1 (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL980327 0.87 MAOB (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL820654 0.87 MAOB (1.00) CYP19A1MIFCYP11B2PKMMAPK1
SCHEMBL29546151 0.87 MAOB (1.00) CYP19A1MIFCYP11B2PKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028110-B1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2004-04-14 EP disclosed
US-6559157-B2 Excellent 17 alpha - hydroxylase/C17-20-lyase and aromatase inhibiting activity, thromboxan A2 synthesis inhibiting activity, useful as preventive and/or therapeutic agents for various male and female sex hormone dependent diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-06 US disclosed
US-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2002-03-14 US disclosed
EP-1028110-A1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Yukijirushi Nyugyo Kabushiki Kaisha (JP) 2000-08-16 EP disclosed
US-3932430-A Substituted indeno, naphtho and cyclohepta pyrazoles SANDOZ, INC. (US) 1976-01-13 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 (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-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same CYP19A1, HSD17B11, CYP17A1 CYP19A1 1/4885MIF 606/4885CYP11B2 36/4885

“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.