SCHEMBL6825529

SCHEMBL6825529

[CH2]CC1=CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CES1 P23141 1/20 0.39
MPO P05164 1/20 0.38
G6PC1 P35575 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11503302 0.80 MPO (0.57) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL28424372 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL29446311 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL5489164 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL9379776 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL7837577 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
Hydrochloric Acid SCHEMBL10649574 0.78 SIGMAR1 (0.44) SIGMAR1CES1MPOG6PC1CYP2A6
Hydrochloric Acid SCHEMBL15053825 0.78 SIGMAR1 (0.44) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL10395522 0.77 SIGMAR1 (0.47) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL9235448 0.77 SIGMAR1 (0.50) SIGMAR1CES1MPO

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 6 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
CN-1117732-C Novel dihydronaphthalene compound and process and producing the same DAIICHI SEIYAKU CO (JP) 2003-08-13 CN 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
CN-1268120-A Novel dihydronaphthalene compound and process and producing the same YUKIJIRUSHI NYUGYO KABUSHIKI K (JP) 2000-09-27 CN 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 SIGMAR1 4364/4885CES1 361/4885MPO 435/4885

“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.