SCHEMBL14701671

SCHEMBL14701671

CC(C)(C)c1cc(O)nc(O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL19024202 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL2719104 0.79 HSD17B10 (0.34) HSD17B10KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6181050 0.79 HMGCR (0.37) HSD17B10KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18701528 0.79 KDM4E (0.38) HSD17B10KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL24621877 0.79 HMGCR (0.36)
SCHEMBL2877787 0.77 MEN1 (0.33) HSD17B10KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3188969 0.77 HSD17B10 (0.55) HSD17B10KDM4EMAPTHRH4
SCHEMBL1258669 0.76 HSP90AA1 (0.38) HSD17B10KDM4EALDH1A1MAPTMEN1
SCHEMBL24621506 0.76 HMGCR (0.36)
SCHEMBL18701490 0.74 ALDH1A1 (0.43) HSD17B10KDM4EALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US disclosed
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR HSD17B10 606/4885KDM4E 1913/4885ALDH1A1 2873/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG HSD17B10 4247/4885KDM4E 4205/4885ALDH1A1 1387/4885

“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.