SCHEMBL16429324

SCHEMBL16429324

OCc1ccccc1-c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
BCL2L1 Q07817 1/20 0.52
HSPA5 P11021 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
AKR1B1 P15121 1/20 0.41
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1221964 0.87 PDCD1 (0.54) HSPA5PDCD1CD274TSHRAPOBEC3G
SCHEMBL10319995 0.83 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10BCL2L1HSPA5
SCHEMBL4748926 0.82 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10BCL2L1HSPA5
SCHEMBL7553964 0.80 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10BCL2L1HSPA5
Lithium Ion SCHEMBL10534528 0.80 PDCD1 (0.48) PDCD1CD274TSHRAPOBEC3GBRD4
SCHEMBL10788061 0.80 CHEK1 (0.45) ALDH1A1HPGDHSD17B10BCL2L1HSPA5
Salicyl Alcohol SCHEMBL15639 0.79
Salicyl Alcohol SCHEMBL17028795 0.79 HSPA5 (0.65) ALDH1A1HPGDHSD17B10HSPA5HIF1A
Salicyl Alcohol SCHEMBL29453973 0.79
Ethylene Glycol SCHEMBL7109461 0.79 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10BCL2L1HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 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 (3 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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 ALDH1A1 2864/4885HPGD 2795/4885HSD17B10 1803/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 ALDH1A1 2864/4885HPGD 2795/4885HSD17B10 1803/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 ALDH1A1 2864/4885HPGD 2795/4885HSD17B10 1803/4885

“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.