SCHEMBL18589367

SCHEMBL18589367

CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CYP3A4 P08684 2/20 0.41
STS P08842 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
OPRK1 P41145 3/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5AP P20292 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL18589350 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL20628853 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL18608049 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL18609734 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL18607980 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL18609579 0.89 MEN1 (0.45) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL18608053 0.89 MEN1 (0.45) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL7860307 0.88 NR1H2 (0.52) NR1H2NR1H3STS
SCHEMBL18577196 0.88 CYP3A4 (0.45) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL22903478 0.88 CYP3A4 (0.45) ALDH1A1MEN1KMT2ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 US disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 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 (4 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC ALDH1A1 1830/4885MEN1 1726/4885KMT2A 1534/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ALDH1A1 4771/4885MEN1 3392/4885KMT2A 4310/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA ALDH1A1 4726/4885MEN1 3445/4885KMT2A 4255/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC ALDH1A1 1830/4885MEN1 1726/4885KMT2A 1534/4885

“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.