SCHEMBL11028837

SCHEMBL11028837

N#CCOc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.53
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
S1PR4 O95977 2/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL9440419 0.81 SLC6A2 (0.44) MRGPRX4ALDH1A1S1PR4NPC1RAB9A
SCHEMBL4593423 0.81 NOS2 (0.46) MRGPRX4TDP1CYP2D6MAOAMAOB
SCHEMBL11329798 0.81 MAPT (0.53) MRGPRX4TDP1TSHRALDH1A1HPGD
SCHEMBL11026699 0.81 KMT2A (0.47) TDP1TSHRALDH1A1S1PR4HPGD
SCHEMBL11031302 0.81 MEN1 (0.48) MRGPRX4TSHRALDH1A1HPGDNPC1
SCHEMBL11027469 0.81 MAPT (0.50) MRGPRX4TDP1ALDH1A1S1PR4HPGD
SCHEMBL4033816 0.81 CYP3A4 (0.42) MRGPRX4TSHRALDH1A1CYP3A4
SCHEMBL29878016 0.81 KMT2A (0.47) TDP1TSHRALDH1A1S1PR4HPGD
SCHEMBL3638624 0.81 HPGD (0.58) MRGPRX4TDP1TSHRALDH1A1S1PR4
SCHEMBL2641277 0.81 TDP1 (0.56) MRGPRX4TDP1TSHRS1PR4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022092687-A1 COMPOSITION COMPRISING PROTEIN EXPRESSION INHIBITOR FOR ANTIOXIDATION, ANTIINFLAMMATION, AND DEMENTIA PREVENTION OR ALLEVIATION, AND USE THEREOF 서울대학교산학협력단 2022-05-05 WO disclosed
WO-2021080188-A2 COMPOSITION FOR PREVENTION OR TREATMENT OF DEPRESSION COMPRISING PROTEIN EXPRESSION INHIBITOR AND USE THEREOF 서울대학교산학협력단 2021-04-29 WO disclosed
WO-2021080189-A1 COMPOSITION FOR SKIN WHITENING, AND USE THEREOF 서울대학교산학협력단 2021-04-29 WO disclosed
US-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF CYTUS H&B CO LTD (KR) 2020-11-12 US disclosed
US-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF CYTUS H&B CO LTD (KR) 2020-11-12 US disclosed
CN-111615509-A Compound with signal transduction and transcriptional activator 3 inhibition activity and application thereof 赛特思H&B有限公司 2020-09-01 CN disclosed
EP-0031938-B1 USE OF ARYLOXY(THIO)CARBOXYLIC ACID NITRILES AND AMIDOXIMES AS ANTIDOTES AGAINST HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
US-4414020-A AMIDOXIMES AS SAFENING AGENTS HOECHST AG (DE) 1983-11-08 US 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-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF STAT3, JAK2, STAT6 MRGPRX4 1849/4885TDP1 3889/4885TSHR 2574/4885

“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.