SCHEMBL9980283

SCHEMBL9980283

CCc1ccc2c(c1)OCc1c-2ccc2cc(CC)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 4/20 0.39
ESRRA P11474 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL15463302 0.92 ESRRB (0.36) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL14985621 0.92 ESRRB (0.36) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL2756803 0.90 CYP1A2 (0.39) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL2757077 0.88 PARP1 (0.36) ESRRBESRRAPARP1MAPTSMN1; SMN2
SCHEMBL9980215 0.85 CYP1A2 (0.39) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL15500326 0.85 DHODH (0.36) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL13070869 0.82 AKR1C3 (0.39) ESRRBESRRACYP1A2CYP2A6PARP1
SCHEMBL2756603 0.81 CYP1A2 (0.38) CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E
SCHEMBL17656233 0.80 ESR1 (0.35) CYP1A2CYP2A6KDM4EALDH1A1LMNA
SCHEMBL14985628 0.77 KDM4E (0.39) CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E

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 ESRRB 4717/4885ESRRA 4698/4885CYP1A2 3826/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ESRRB 4717/4885ESRRA 4698/4885CYP1A2 3826/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ESRRB 4717/4885ESRRA 4698/4885CYP1A2 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.