SCHEMBL13070869

SCHEMBL13070869

CCc1ccc2c3c(ccc2c1)-c1cc2ccc(C(C)C)cc2cc1OC3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2756803 0.91 CYP1A2 (0.39) AKR1C3AKR1C2CYP1A2CYP2A6ESRRB
SCHEMBL2705599 0.91 KDM4E (0.35) ESRRBESRRAMAPTKDM4EMEN1
SCHEMBL2756788 0.85 DHODH (0.36) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL15500326 0.85 DHODH (0.36) CYP1A2CYP2A6ESRRBESRRAMAPT
SCHEMBL18462405 0.82 MEN1 (0.32) MAPTKDM4EMEN1USP2CYP3A4
SCHEMBL2705798 0.82 LMNA (0.35) ESRRBESRRAMAPTKDM4EMEN1
SCHEMBL9980283 0.82 ESRRB (0.39) AKR1C3AKR1C2CYP1A2CYP2A6ESRRB
SCHEMBL2756468 0.77 LMNA (0.35) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL15463302 0.77 ESRRB (0.36) CYP1A2CYP2A6ESRRBESRRAMAPT
SCHEMBL9980128 0.75 LMNA (0.35) CYP1A2CYP2A6MAPTKDM4EMEN1

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 3 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
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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C2 4102/4885CYP1A2 3826/4885

“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.