SCHEMBL3065896

SCHEMBL3065896

COc1c(Br)cccc1[C@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
NQO2 P16083 1/20 0.35
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL32681778 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL1680252 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL29731059 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2C19ATMALDH1A1
SCHEMBL618635 0.84 GABRA1 (0.41) KMT2ACYP3A4CYP2C19NQO2FAAH
SCHEMBL1302413 0.82 NQO2 (0.36) KMT2ACYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL23526103 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL30013986 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL23526102 0.81 CYP1A2 (0.41) CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL3062204 0.80 NQO2 (0.33) KMT2ACYP3A4CYP2C19ALDH1A1ALOX15
SCHEMBL7786046 0.80 AOC3 (0.36) KMT2ACYP3A4CYP2C19ALDH1A1ALOX15

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 CN claimed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 CN claimed
CN-118496280-A Chiral PNN manganese complex, preparation method thereof, catalyst composition and application 河北农业大学 2024-08-16 CN disclosed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 CN disclosed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 CN disclosed
CN-114671743-A Preparation method of (S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol 石家庄手性化学有限公司 2022-06-28 CN disclosed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 CN disclosed
CN-112852769-B Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-10-08 CN disclosed
CN-112852769-A Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
CN-112852769-A Method for preparing (S) -1- (2-methoxy-3-bromophenyl) ethanol 中国科学院天津工业生物技术研究所 2021-05-28 CN disclosed
US-8889722-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
US-8530668-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2013-09-10 US disclosed
US-8530668-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2013-09-10 US disclosed
US-8530668-B2 Pharmaceutical composition containing optically active compound having thrombopoietin receptor agonist activity, and intermediate therefor SHIONOGI & CO., LTD. (JP) 2013-09-10 US disclosed
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR SHIONOGI & CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR SHIONOGI & CO., LTD. (JP) 2013-08-22 US disclosed
US-20100267783-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2010-10-21 US disclosed
US-20100267783-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2010-10-21 US disclosed
EP-2184279-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY AND INTERMEDIATE THEREOF Shionogi&Co., Ltd. (JP) 2010-05-12 EP disclosed
EP-2184279-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY AND INTERMEDIATE THEREOF Shionogi&Co., Ltd. (JP) 2010-05-12 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-20100267783-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR MPL, TEK, THPO KMT2A 3667/4885CYP3A4 1592/4885CYP2C19 895/4885
US-20130217885-A1 PHARMACEUTICAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND HAVING THROMBOPOIETIN RECEPTOR AGONIST ACTIVITY, AND INTERMEDIATE THEREFOR MPL, TEK, THPO KMT2A 3659/4885CYP3A4 1634/4885CYP2C19 931/4885

“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.