SCHEMBL9717669

SCHEMBL9717669

Cc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR7 P34969 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ESR2 Q92731 1/20 0.46
ENPP3 O14638 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PDK2 Q15119 1/20 0.43
ENPP1 P22413 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20986881 0.94 ENPP3 (0.46) TSHRMAPTUSP2LMNAPOLB
M-Xylene SCHEMBL28308665 0.92 ACHE (0.52) TSHRMAPTUSP2LMNAPOLB
SCHEMBL5025375 0.90 HTR7 (0.55) TSHRMAPTUSP2LMNAPOLB
SCHEMBL8914609 0.88 HSD17B10 (0.50) TSHRMAPTUSP2LMNAPOLB
SCHEMBL7776584 0.86 ESR2 (0.53) TSHRMAPTPOLBNPC1HPGD
SCHEMBL12071809 0.86 ALDH1A1 (0.44) TSHRMAPTUSP2LMNAPOLB
SCHEMBL12071803 0.86 ENPP3 (0.43) TSHRMAPTUSP2LMNAPOLB
SCHEMBL22698813 0.85 HTR7 (0.55) TSHRHTR7NPC1HPGDRAB9A
SCHEMBL200730 0.85 ACHE (0.58) TSHRMAPTLMNAPOLBNPSR1
Biphenyl SCHEMBL4733975 0.85 ESR2 (0.52) TSHRHTR7NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152775-A1 LIQUID HYDROGEN STORAGE MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2019-05-23 US claimed
CN-115135741-A Use of heterocyclic compounds in organic electronic devices 默克专利有限公司 2022-09-30 CN disclosed
US-5081758-A Impregnation with aromatic hydrocarbon mixture NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-21 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-20190152775-A1 LIQUID HYDROGEN STORAGE MATERIAL L3MBTL3, L3MBTL4, METTL3 TSHR 4533/4885MAPT 380/4885USP2 174/4885

“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.