SCHEMBL9980171

SCHEMBL9980171

Cc1ccc2c(=O)c3cc(C(C)C)ccc3sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TBK1 Q9UHD2 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PFKFB3 Q16875 6/20 0.36
PFKFB4 Q16877 3/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL16622747 0.94 KDM4E (0.41) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL2705508 0.91 KDM4E (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL14985633 0.85 ALDH1A1 (0.50) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL4732252 0.84 KDM4E (0.39) KDM4EALDH1A1POLBNPC1MAPT
SCHEMBL41594 0.83 KDM4E (0.58) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL30612323 0.83 KDM4E (0.58) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL29353401 0.83 KDM4E (0.58) KDM4EALDH1A1POLBHPGDNPC1
SCHEMBL13772192 0.82 LMNA (0.39) ALDH1A1NPC1RAB9APIM1PIM2
SCHEMBL13707463 0.82 RAB9A (0.42) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13971125 0.82 BCL2L1 (0.49) KDM4EALDH1A1POLBHPGDNPC1

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 KDM4E 2496/4885ALDH1A1 3957/4885POLB 57/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885POLB 57/4885

“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.