SCHEMBL7699998

SCHEMBL7699998

CCc1c[c]c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.48
LTB4R Q15722 13/20 0.46
LTB4R2 Q9NPC1 13/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL8610596 0.84 NR1H4 (0.67) NR1H4LTB4RLTB4R2MEN1ALDH1A1
Ly-255283 SCHEMBL4562255 0.80 NR1H4 (0.69) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL7646400 0.77 LTB4R (0.71) NR1H4LTB4RLTB4R2
SCHEMBL9417960 0.75 NR1H4 (0.63) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417870 0.75 NR1H4 (0.46) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL7646883 0.75 LTB4R (0.73) NR1H4LTB4RLTB4R2
SCHEMBL7610606 0.70 MAPT (0.31) NR1H4LTB4RLTB4R2ALDH1A1THRB
SCHEMBL8565284 0.68 NR1H4 (0.56) NR1H4LTB4RLTB4R2
SCHEMBL20915217 0.68 CNR2 (0.34) NR1H4
SCHEMBL20915250 0.68 CNR2 (0.34) NR1H4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216790-A1 Methods for Treating Pruritis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US claimed
WO-2001034134-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
WO-2001034133-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
US-20190216790-A1 Methods for Treating Pruritis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed
US-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 US disclosed
WO-2001034133-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034134-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034199-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO 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-20190216790-A1 Methods for Treating Pruritis ITCH, CYSLTR2, CYSLTR1 NR1H4 79/4885LTB4R 8/4885LTB4R2 4/4885

“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.