SCHEMBL2756463

SCHEMBL2756463

Cc1ccc2c(c1)COc1c-2ccc2cc(C(C)C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
AAK1 Q2M2I8 1/20 0.32
PSMB5 P28074 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL13464949 0.95 LMNA (0.35) LMNAAAK1CYP1A2CYP2A6
SCHEMBL2705597 0.92 LMNA (0.35) LMNAAAK1PSMB5
SCHEMBL2757127 0.87 ALDH1A1 (0.39) LMNAAAK1CYP1A2CYP2A6
SCHEMBL2756786 0.86 ESR1 (0.35) LMNAPSMB5CYP1A2CYP2A6
SCHEMBL9980113 0.86 ESR1 (0.35) LMNAPSMB5CYP1A2CYP2A6
SCHEMBL12676884 0.81 AAK1 (0.32) AAK1
SCHEMBL15463301 0.79 CYP1A2 (0.35) CYP1A2CYP2A6
SCHEMBL15430233 0.78 SIRT2 (0.35) LMNACYP1A2CYP2A6
SCHEMBL13465062 0.77 LMNA (0.41) LMNAAAK1
SCHEMBL15368412 0.76 GAA (0.33) LMNACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885AAK1 3098/4885PSMB5 1560/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885AAK1 3098/4885PSMB5 1560/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885AAK1 3098/4885PSMB5 1560/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885AAK1 3098/4885PSMB5 1560/4885

“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.