SCHEMBL8851574

SCHEMBL8851574

CNc1cc(C)c2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.57
CYP2A6 P11509 3/20 0.57
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM1A O60341 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36

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
SCHEMBL27919270 0.78 CYP2A6 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL27937835 0.78 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL27937807 0.78 HPRT1 (0.42) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL28805665 0.78 NQO2 (0.55) CYP1A2ALDH1A1HSD17B10TSHRHIF1A
SCHEMBL21241449 0.78 TSHR (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL8851743 0.78 TSHR (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL27919132 0.76 PTGS2 (0.55) TSHRAPOBEC3AAPOBEC3GPTGS2
SCHEMBL12355774 0.76 PTGS2 (0.58) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL16194105 0.75 ALDH1A1 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL28805672 0.75 PTGS2 (0.47) CYP1A2ALDH1A1HPGDTSHRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230189636-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-15 US disclosed
WO-2021136277-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2019014262-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS OF USE IN VIVO THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-17 WO disclosed
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 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-20230189636-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM CYP1A2 1633/4885CYP2A6 2104/4885ALDH1A1 969/4885

“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.