SCHEMBL7517823

SCHEMBL7517823

COc1cc([N+](=O)[O-])ccc1C(C)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
EPHX1 P07099 1/20 0.46
GAA P10253 1/20 0.46
ERN1 O75460 1/20 0.44
CYP19A1 P11511 1/20 0.44
PTGS2 P35354 1/20 0.44
KCNMA1 Q12791 1/20 0.44

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
SCHEMBL29745600 1.00 HTT (0.58) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL6676325 0.87 SMN1; SMN2 (0.57) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL26042832 0.87 HTT (0.62) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL1531305 0.84 HTT (0.58) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL1579202 0.79 HTT (0.57) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL12429752 0.79 HTT (0.53) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL1531395 0.79 HTT (0.53) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL4705081 0.79 HTT (0.53) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL1531391 0.79 HTT (0.53) HTTSMN1; SMN2LMNATDP1PKM
SCHEMBL4374575 0.78 HTT (0.51) HTTSMN1; SMN2LMNATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114941015-B Process for the manufacture of high mirror image selectivity secondary alcohols 深圳艾欣达伟医药科技有限公司 2024-05-03 CN disclosed
US-11773118-B2 Methods of making high enantioselective secondary alcohols OBI PHARMA, INC. (TW) 2023-10-03 US disclosed
US-11773118-B2 Methods of making high enantioselective secondary alcohols OBI PHARMA, INC. (TW) 2023-10-03 US disclosed
US-11773118-B2 Methods of making high enantioselective secondary alcohols OBI PHARMA, INC. (TW) 2023-10-03 US disclosed
CN-114941015-A Method for producing secondary alcohol with high mirror image selectivity 深圳艾欣达伟医药科技有限公司 2022-08-26 CN disclosed
CN-113474315-B Method for producing secondary alcohol with high mirror image selectivity 深圳艾欣达伟医药科技有限公司 2022-07-05 CN disclosed
US-20220106339-A1 Methods of Making High Enantioselective Secondary Alcohols OBI PHARMA, INC. (TW) 2022-04-07 US disclosed
US-20220106339-A1 Methods of Making High Enantioselective Secondary Alcohols OBI PHARMA, INC. (TW) 2022-04-07 US disclosed
CN-113474315-A Method for producing secondary alcohol with high mirror image selectivity 深圳艾欣达伟医药科技有限公司 2021-10-01 CN disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 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 (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-20220106339-A1 Methods of Making High Enantioselective Secondary Alcohols ADH5, OSTC, ADH1A HTT 4824/4885SMN1; SMN2 3807/4885LMNA 4535/4885
US-11773118-B2 Methods of making high enantioselective secondary alcohols ADH5, OSTC, ADH1A HTT 4824/4885SMN1; SMN2 3807/4885LMNA 4535/4885

“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.