SCHEMBL5208718

SCHEMBL5208718

COc1cccc2c1CCCC2=C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.49
SIGMAR1 Q99720 2/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ACHE P22303 1/20 0.42
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CYP19A1 P11511 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
SCHEMBL264705 0.77 BRD4 (0.54) ABCB1SIGMAR1ACHEHTR1AKDM4E
SCHEMBL29802310 0.77 BRD4 (0.54) ABCB1SIGMAR1ACHEHTR1AKDM4E
SCHEMBL14128548 0.77 ABCB1 (0.47) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL7952434 0.77 ABCB1 (0.47) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL6798725 0.77 ABCB1 (0.47) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL14120635 0.74 ACHE (0.51) ABCB1SIGMAR1ACHEHTR1AKDM4E
SCHEMBL14127470 0.73 ABCB1 (0.44) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL5395492 0.73 HPGD (0.45) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL10041965 0.73 HPGD (0.45) ABCB1SIGMAR1ABCC1ABCG2ACHE
SCHEMBL5395496 0.73 HPGD (0.45) ABCB1SIGMAR1ABCC1ABCG2ACHE

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
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-12-21 US disclosed
EP-1726586-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
EP-1354879-A1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 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 (2 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-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient SREBF1, NR1H2, NR1H3 ABCB1 561/4885SIGMAR1 1017/4885ABCC1 389/4885
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient SREBF1, NR1H2, NR1H3 ABCB1 225/4885SIGMAR1 542/4885ABCC1 131/4885

“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.