SCHEMBL5880952

SCHEMBL5880952

OC(CCc1ccccc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
SCN9A Q15858 2/20 0.44
HSD17B2 P37059 1/20 0.43
EPHX2 P34913 4/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL4564333 0.98 HTT (0.50) HTTALDH1A1TAAR1SCN9AHSD17B2
SCHEMBL14036137 0.96 SCN9A (0.47) HTTALDH1A1SCN9AHSD17B2TSHR
SCHEMBL14612202 0.96 SCN9A (0.47) HTTALDH1A1SCN9AHSD17B2TSHR
SCHEMBL11390977 0.92 HSD17B2 (0.49) SCN9AHSD17B2TSHRKDM4ECYP1A2
SCHEMBL7875085 0.84 GBA1 (0.47) HSD17B2TSHRKDM4ECYP1A2CYP3A4
SCHEMBL5006266 0.82 HSD17B2 (0.42) TAAR1SCN9AHSD17B2TSHRSMN1; SMN2
SCHEMBL5006259 0.82 HSD17B2 (0.42) TAAR1SCN9AHSD17B2TSHRSMN1; SMN2
SCHEMBL6398206 0.80 KMT2A (0.50) ALDH1A1TAAR1KMT2AEPHX1
SCHEMBL934587 0.79 HTT (0.49) HTTALDH1A1TAAR1EPHX2TSHR
SCHEMBL13280870 0.78 HTR2A (0.45) HTTALDH1A1TAAR1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 HTT 4152/4885ALDH1A1 729/4885TAAR1 3724/4885

“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.