SCHEMBL27404239

SCHEMBL27404239

Cc1cc2cccc(C)n2c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
HTT P42858 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 1/20 0.30
NOTUM Q6P988 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL7168898 0.75 MAPT (0.40) TP53PKMPKLRHTTMAPT
SCHEMBL7169839 0.70 KDM4E (0.37) ACHEPOLBTP53HTTMAPT
SCHEMBL4467335 0.70 L3MBTL1 (0.38) POLBHTTMAPTKDM4ERAB9A
SCHEMBL2971318 0.68 KDM4E (0.47) POLBHTTMAPTKDM4ERAB9A
SCHEMBL11064946 0.62 TBXAS1 (0.46) POLBHTTMAPTKDM4ERAB9A
SCHEMBL4566856 0.59 ALOX15 (0.36) POLBMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL6846460 0.55 ESR1 (0.38)
SCHEMBL21626118 0.55 TSHR (0.40) ACHETSHRTP53PKMMAPT
O-Xylene SCHEMBL8216257 0.54 TSHR (1.00) ACHETSHRHTTMAPTTRPA1
O-Xylene SCHEMBL10522915 0.54 TSHR (1.00) ACHETSHRHTTMAPTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 ACHE 1413/4885TSHR 3893/4885POLB 2060/4885

“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.