SCHEMBL6774918

SCHEMBL6774918

OCCc1cncn1Cc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.82
CYP11B2 P19099 16/20 0.82
IDO1 P14902 1/20 0.54
HPGDS O60760 1/20 0.50
P2RX7 Q99572 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3079356 0.86 CYP11B1 (0.71) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9570444 0.83 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL8971686 0.83 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9092547 0.83 CYP11B1 (0.73) CYP11B1CYP11B2IDO1
SCHEMBL2104118 0.81 CYP11B1 (0.64) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL531371 0.81 CYP11B1 (0.73) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL6776413 0.80 CYP11B1 (0.85) CYP11B1CYP11B2
SCHEMBL9092962 0.80 CYP11B1 (0.72) CYP11B1CYP11B2IDO1
SCHEMBL9641631 0.80 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL6748340 0.79 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7

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
US-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase LEONARD DANIELE MARIE (US) 2004-09-02 US disclosed
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase WARNER-LAMBERT COMPANY 2003-12-18 US disclosed
EP-1276724-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079179-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 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 (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-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase NRAS, HRAS, FNTB CYP11B1 507/4885CYP11B2 1099/4885IDO1 2705/4885
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase NRAS, FNTA, CYP46A1 CYP11B1 206/4885CYP11B2 430/4885IDO1 2283/4885

“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.