SCHEMBL2756604

SCHEMBL2756604

CCc1ccc2c(ccc3c4ccc(C(C)(C)C)cc4c(=O)oc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
ESR2 Q92731 7/20 0.39
ESR1 P03372 5/20 0.39
PON1 P27169 1/20 0.36
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
NR1I2 O75469 1/20 0.33
METAP2 P50579 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PKLR P30613 1/20 0.32
GALNT2 Q10471 1/20 0.32
GALNT1 Q10472 1/20 0.32
GALNT3 Q14435 1/20 0.32
GALNT10 Q86SR1 1/20 0.32
GALNT13 Q8IUC8 1/20 0.32

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
SCHEMBL9980111 0.95 ELANE (0.42) ELANEESR2ESR1PON1MAOB
SCHEMBL2707244 0.88 NR1I2 (0.41) ESR2ESR1PON1NR1I2CSNK2A1
SCHEMBL9980108 0.83 CYP1A2 (0.37) ELANEPON1MAOBCYP1A2CYP2A6
SCHEMBL16622744 0.83 ELANE (0.45) ELANEESR2ESR1CYP1A2CYP2A6
SCHEMBL2756601 0.80 NR1I2 (0.35) ELANEPON1MAOBCYP1A2CYP2A6
SCHEMBL14985659 0.80 ELANE (0.45) ELANEESR2ESR1
SCHEMBL18462386 0.80 TBK1 (0.36) ESR2ESR1PON1NR1I2CSNK2A1
SCHEMBL2757171 0.79 ELANE (0.41) ELANEPON1MAOBCYP1A2CYP2A6
SCHEMBL2757167 0.76 MAOB (0.39) ELANEESR2ESR1PON1MAOB
SCHEMBL9980104 0.76 ELANE (0.41) ELANEPON1MAOBPKLR

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 4 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
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 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885

“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.