SCHEMBL6982730

SCHEMBL6982730

CC(C)(C)OC(=O)N1CCCC(O)(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
USP30 Q70CQ3 1/20 0.46
RORC P51449 3/20 0.46
GPR119 Q8TDV5 1/20 0.45
SCD5 Q86SK9 1/20 0.45
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD11B1 P28845 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL31513766 1.00 TSHR (0.47) TSHRALOX15ATMUSP30RORC
SCHEMBL351086 0.92 TSHR (0.52) TSHRALOX15ATMUSP30RORC
SCHEMBL13771539 0.92 TSHR (0.52) TSHRALOX15ATMUSP30RORC
SCHEMBL15595091 0.90 TSHR (0.53) TSHRALOX15ATMGPR119TACR1
SCHEMBL19462827 0.87 RORC (0.50) USP30RORCMEN1KMT2A
SCHEMBL1430196 0.87 RORC (0.50) USP30RORCMEN1KMT2A
SCHEMBL13572729 0.87 MEN1 (0.41) USP30RORCSCD5CYP11B2MEN1
SCHEMBL1309072 0.86 RORC (0.51) TSHRALOX15ATMRORCGPR119
SCHEMBL25269330 0.86 GPR119 (0.48) GPR119OPRD1OPRK1CYP11B2CYP3A4
SCHEMBL1430393 0.86 USP30 (0.51) TSHRALOX15ATMUSP30RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087282-A1 METHOD FOR PREPARING CHIRAL ALCOHOL COMPOUND 中国科学院上海有机化学研究所 2025-05-01 WO claimed
CN-119899090-A Preparation method of chiral alcohol compound 中国科学院上海有机化学研究所 2025-04-29 CN claimed
WO-2025087282-A1 METHOD FOR PREPARING CHIRAL ALCOHOL COMPOUND 中国科学院上海有机化学研究所 2025-05-01 WO disclosed
CN-119899090-A Preparation method of chiral alcohol compound 中国科学院上海有机化学研究所 2025-04-29 CN disclosed
US-10428019-B2 Chiral auxiliaries WAVE LIFE SCIENCES LTD. (SG) 2019-10-01 US disclosed
US-10428019-B2 Chiral auxiliaries WAVE LIFE SCIENCES LTD. (SG) 2019-10-01 US disclosed
EP-2620428-B1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES LTD (SG) 2019-05-22 EP disclosed
EP-2620428-B1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES LTD (SG) 2019-05-22 EP disclosed
EP-2620428-A1 ASYMMETRIC AUXILIARY GROUP Chiralgen, Ltd. (JP) 2013-07-31 EP disclosed
EP-2620428-A1 ASYMMETRIC AUXILIARY GROUP Chiralgen, Ltd. (JP) 2013-07-31 EP disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
US-20130178612-A1 CHIRAL AUXILIARIES CHIRALGEN, LTD. (JP) 2013-07-11 US disclosed
EP-0976745-B1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 EP disclosed
US-6187781-B1 CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS; ALZHEIMER*S, HUNTINGTON, AND PARKINSON DISEASE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0976745-A1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-02 EP 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-20130178612-A1 CHIRAL AUXILIARIES POLL, PCNA, POLM TSHR 2617/4885ALOX15 4831/4885ATM 1632/4885
US-10428019-B2 Chiral auxiliaries PCNA, POLL, TYMP TSHR 2863/4885ALOX15 4721/4885ATM 2051/4885

“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.