SCHEMBL29293113

SCHEMBL29293113

c1ccc(-c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 2/20 0.46
PTGS2 P35354 1/20 0.46
CYP3A4 P08684 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TNF P01375 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP17A1 P05093 2/20 0.43
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL29293091 0.98 CYP2A6 (0.47) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293033 0.98 CYP2A6 (0.47) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293017 0.98 CYP2A6 (0.47) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293032 0.98 CYP2A6 (0.47) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293030 0.97 CYP1A2 (0.44) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293254 0.97 CYP1A2 (0.44) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293139 0.97 PTGS2 (0.49) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293124 0.95 CYP2A6 (0.50) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293131 0.95 CYP2A6 (0.50) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2
SCHEMBL29293145 0.93 CYP19A1 (0.45) LIMK1ALDH1A1CYP2A6CYP1A2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 US disclosed
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 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-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same OR10J3, ORMDL3, OR51E2 LIMK1 75/4885ALDH1A1 249/4885CYP2A6 1839/4885

“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.