SCHEMBL12424796

SCHEMBL12424796

Brc1ccccc1C#Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.50
▸ GRM5 P41594 1/20 0.46
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 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
SCHEMBL2776015 0.87 CHAT (0.60) CHATGRM5CA1CA2MEN1
SCHEMBL29661843 0.87 CHAT (0.60) CHATGRM5CA1CA2MEN1
SCHEMBL13299893 0.86 CHAT (0.49) CHATGRM5CA1CA2MEN1
SCHEMBL6364668 0.84 CHAT (0.58) CHATGRM5CA1CA2MEN1
SCHEMBL13299915 0.84 CHAT (0.47) CHATGRM5CA1CA2MEN1
SCHEMBL15745342 0.82 CHAT (0.46) CHATGRM5CA1CA2MEN1
SCHEMBL30468202 0.82 FFAR1 (0.47) CA1CA2MEN1KMT2AMAPT
SCHEMBL2466535 0.82 FFAR1 (0.47) CA1CA2MEN1KMT2AMAPT
SCHEMBL15745351 0.81 CHAT (0.45) CHATGRM5CA1CA2MEN1
SCHEMBL18607538 0.81 CHAT (0.42) CHATGRM5CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023031972-A1 NOVEL SOLID STATE EMITTERS BASED ON PYRIDINIUM SCAFFOLDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-03-09 — — WO disclosed
EP-2765832-B1 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MAT LTD (KR) 2018-04-04 — — EP disclosed
US-9899600-B2 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MATERIAL LTD. (KR) 2018-02-20 — — US disclosed
US-9899600-B2 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MATERIAL LTD. (KR) 2018-02-20 — — US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 — — US disclosed
EP-2765832-A1 Multicyclic aromatic compound and organic light emitting device using the same Heesung Material Ltd. (KR) 2014-08-13 — — EP disclosed
US-20140145169-A1 MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2014-05-29 — — US disclosed
US-20140145169-A1 MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2014-05-29 — — US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 — — 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-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM CHAT 919/4885GRM5 2268/4885CA1 4266/4885

“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.

Send feedback