SCHEMBL9980113

SCHEMBL9980113

Cc1ccc2c3c(ccc2c1)-c1ccc2cc(C(C)C)ccc2c1CO3

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSMB5 P28074 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2756786 1.00 ESR1 (0.35) ESR1ESR2LMNACYP1A2CYP2A6
SCHEMBL14985614 0.89 ESR1 (0.41) ESR1ESR2LMNACYP1A2CYP2A6
SCHEMBL2756463 0.86 LMNA (0.35) LMNACYP1A2CYP2A6PSMB5
SCHEMBL13464949 0.86 LMNA (0.35) LMNACYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL2756468 0.86 LMNA (0.35) LMNACYP1A2CYP2A6KDM4E
SCHEMBL9980128 0.86 LMNA (0.35) LMNACYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL2756788 0.84 DHODH (0.36) LMNACYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL2705798 0.80 LMNA (0.35) LMNAKDM4E
SCHEMBL2705597 0.80 LMNA (0.35) LMNAKDM4EALDH1A1HSD17B10PSMB5
SCHEMBL17656233 0.80 ESR1 (0.35) ESR1ESR2LMNACYP1A2CYP2A6

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-2857394-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-04-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ESR1 4094/4885ESR2 4021/4885LMNA 1353/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ESR1 4094/4885ESR2 4021/4885LMNA 1353/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ESR1 4094/4885ESR2 4021/4885LMNA 1353/4885

“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.