SCHEMBL9980285

SCHEMBL9980285

CCc1ccc2c3c(ccc2c1)-c1ccc(C(C)(C)C)cc1CO3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
AAK1 Q2M2I8 3/20 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
SCHEMBL9980157 0.95 NR3C1 (0.33) NR3C1PGRNR3C2ALDH1A1MAOA
SCHEMBL2757073 0.88 CYP1A2 (0.39) NR3C1PGRCYP1A2CYP2A6ALDH1A1
SCHEMBL2705610 0.88 NR1I2 (0.37) NR3C1PGRNR3C2ALDH1A1AAK1
SCHEMBL15463301 0.84 CYP1A2 (0.35) CYP1A2CYP2A6MAOAMAOB
SCHEMBL9980110 0.82 CYP1A2 (0.32) CYP1A2CYP2A6ALDH1A1
SCHEMBL15368412 0.81 GAA (0.33) CYP1A2CYP2A6ALDH1A1MAOAMAOB
SCHEMBL9980296 0.81 MEN1 (0.37) NR3C1PGRCYP1A2CYP2A6MAOA
SCHEMBL12676884 0.78 AAK1 (0.32) ALDH1A1AAK1
SCHEMBL9980215 0.78 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1
SCHEMBL9980105 0.78 CYP1A2 (0.37) CYP1A2CYP2A6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR3C1 3925/4885PGR 4048/4885NR3C2 4498/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR3C1 3925/4885PGR 4048/4885NR3C2 4498/4885

“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.