SCHEMBL6825366

SCHEMBL6825366

CCOc1ccc2c(c1)C(C)=C(Cc1c[nH]cn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
CYP19A1 P11511 4/20 0.39
CYP17A1 P05093 1/20 0.39
BRD4 O60885 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Hydrochloric Acid SCHEMBL6825962 0.99 TYMS (0.40) TYMSCYP19A1CYP17A1BRD4LMNA
SCHEMBL6822380 0.91 CYP19A1 (0.49) CYP19A1CYP17A1MAPTCYP11B1CYP11B2
SCHEMBL6822421 0.89 CYP19A1 (0.50) TYMSCYP19A1CYP17A1KDM4EALDH1A1
SCHEMBL6825569 0.82 CYP19A1 (0.47) CYP19A1CYP17A1CA1CA2CA7
SCHEMBL6825052 0.80 CYP19A1 (0.61) CYP19A1CYP17A1LMNAKDM4EMEN1
SCHEMBL6825925 0.79 CYP19A1 (0.47) CYP19A1CYP17A1
SCHEMBL6825388 0.78 CYP19A1 (0.39) TYMSCYP19A1CYP17A1KDM4EALDH1A1
SCHEMBL6825682 0.74 CYP19A1 (0.33) CYP19A1CYP17A1KDM4EMEN1ALDH1A1
SCHEMBL6825286 0.73 NPY5R (0.45) CYP19A1CYP17A1LMNAALDH1A1RAB9A
SCHEMBL6825419 0.73 CYP19A1 (0.51) TYMSCYP19A1CA1CA2CA7

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 claimed
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

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 TYMS 411/4885CYP19A1 1/4885CYP17A1 3/4885

“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.