SCHEMBL1765091

SCHEMBL1765091

CC(C)(C)c1ccc(O)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
PRKCZ Q05513 1/20 0.35
LMNA P02545 2/20 0.34
TYR P14679 2/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34
MIF P14174 1/20 0.34
HTT P42858 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HSD17B2 P37059 3/20 0.34
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 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
Hydrochloric Acid SCHEMBL11416248 0.82
SCHEMBL31337922 0.78 P2RX7 (0.37) ALDH1A1HSD17B10LMNAMEN1KMT2A
SCHEMBL537996 0.78 P2RX7 (0.37) ALDH1A1HSD17B10LMNAMEN1KMT2A
SCHEMBL10220576 0.77 CYP2D6 (0.33) HPGDCYP2D6
SCHEMBL23890479 0.76 KDM4E (0.33) HSD17B10LMNAHTTKDM4ENPC1
SCHEMBL1511831 0.74 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL1511034 0.74 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL12072127 0.74 HSD17B2 (0.34) ALDH1A1ALOX15HSD17B10TDP1HSD17B2
SCHEMBL28598579 0.74 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL19107544 0.72 EGFR (0.40) HSD17B10TDP1LMNAHTTKDM4E

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-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
WO-2009140163-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 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-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 ALDH1A1 2414/4885ALOX15 2141/4885HSD17B10 1560/4885

“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.