SCHEMBL24186971

SCHEMBL24186971

c1cncc(-c2c(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 9/20 0.50
▸ CYP11B2 P19099 8/20 0.50
▸ CYP1A2 P05177 3/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ CYP3A4 P08684 6/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ CYP17A1 P05093 6/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL13085336 0.89 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL28424777 0.87 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL13085182 0.84 CYP11B1 (0.50) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL13183875 0.84 TERT (0.40) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL12666704 0.83 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL15446962 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL17427668 0.80 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL13085257 0.79 CYP2A6 (0.52) CYP11B1CYP11B2CYP1A2CYP3A4CYP17A1
SCHEMBL13682480 0.79 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1
SCHEMBL13682504 0.79 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2CYP1A1CYP1B1

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-20220009857-A1 Multi-Arm Monomolecular White Light-Emitting Materials, Preparation Method and Application Thereof NANJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS (CN) 2022-01-13 — — 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-20220009857-A1 Multi-Arm Monomolecular White Light-Emitting Materials, Preparation Method and Application Thereof AHR, AADAC, PAM CYP11B1 876/4885CYP11B2 1090/4885CYP1A2 445/4885

“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.

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