SCHEMBL6720583

SCHEMBL6720583

COc1ccc(OC)c(OC)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ACHE P22303 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28143595 0.85 CA9 (0.36) MAPTTDP1ALDH1A1KDM4ECYP1A2
SCHEMBL1494033 0.85 MAPT (0.38) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL28331707 0.83 CYP19A1 (0.43) MAPTTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL27942024 0.83 CA2 (0.47) MAPTTDP1ALDH1A1KDM4ECYP1A2
SCHEMBL25344180 0.81 LMNA (0.36) ALDH1A1KDM4ECYP1A2L3MBTL1KMT2A
SCHEMBL17924632 0.81 TUBB1 (0.41) MAPTTDP1ALDH1A1KDM4EL3MBTL1
Hydrogen Sulfide SCHEMBL28333201 0.81 CYP19A1 (0.42) MAPTTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL19574045 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL27485684 0.81 IDO1 (0.45) MAPTTDP1ALDH1A1L3MBTL1POLB
SCHEMBL3674074 0.80 CA9 (0.50) MAPTTDP1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588854-A Synthetic method of marine natural product Puupehenol 哈尔滨工业大学(威海) 2017-04-26 CN claimed
US-6673930-B2 PREPARING A SELECTIVE GLUCOCORTICOID RECEPTOR AGENTS BY CYCLIZATION, DEHALOGENATION, AMINATION, ETHERIFICATION, HYDROXYLATION ABBVIE INC. 2004-01-06 US claimed
US-20030069427-A1 Process for the preparation of 5-(substituted)-10 methoxy-2,2,4-trimethyl-2,5-dihydro- 1H-chromeno [3,4-f] quinolines and derivatives thereof ABBVIE INC. 2003-04-10 US claimed
CN-107266410-B Synthesis method of 8-epi-puupehedione 威海创惠环保科技有限公司 2020-01-03 CN disclosed
CN-107915699-B Synthetic method of Corallidictyalal D Weihai Chuang Hui environmental protection & Technology Co., Ltd. (CN) 2019-12-10 CN disclosed
CN-106083803-A A kind of synthetic method of marine natural products Puupehedione 哈尔滨工业大学(威海) 2016-11-09 CN disclosed
CN-102391058-B Method for preparing stilbene compound UNIV ZHEJIANG TECHNOLOGY 2013-06-19 CN 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-20030069427-A1 Process for the preparation of 5-(substituted)-10 methoxy-2,2,4-trimethyl-2,5-dihydro- 1H-chromeno [3,4-f] quinolines and derivatives thereof HTR3C, CYP3A5, NQO2 MAPT 3327/4885TDP1 3280/4885ALDH1A1 1684/4885

“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.