SCHEMBL4876294

SCHEMBL4876294

COc1cccc(-c2ccc3cc(-c4c(C5CCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4C(C)COCC4C)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
GAK O14976 1/20 0.34
AVPR1B P47901 4/20 0.34
MTOR P42345 3/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
HIF1A Q16665 1/20 0.32
CDK1 P06493 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
SCHEMBL4868418 0.88 KDM4E (0.32) ALDH1A1
SCHEMBL4874037 0.88 POLB (0.40) ALDH1A1TSHRNPC1TP53HPGD
SCHEMBL4877302 0.87 PIK3CA (0.39) ALDH1A1TSHRTP53HTTAVPR1B
SCHEMBL4873028 0.86 PIK3CA (0.37) ALDH1A1TSHRTP53HTTMTOR
SCHEMBL4868378 0.86 ALOX5AP (0.32)
SCHEMBL4878172 0.85 PIK3CA (0.39) ALDH1A1GAKMTORPIK3CAMAPT
SCHEMBL4877158 0.85 PIK3CA (0.40) TSHRTP53NPSR1MTORPIK3CA
SCHEMBL4868280 0.84 KCNH2 (0.39)
SCHEMBL4877179 0.83 GAK (0.35) ALDH1A1HTTGAKAVPR1BPIK3CA
SCHEMBL4877164 0.83 AVPR1B (0.44) ALDH1A1NPC1HPGDAVPR1B

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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 (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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885TSHR 4492/4885NPC1 679/4885

“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.