SCHEMBL21164596

SCHEMBL21164596

CCOC(=O)c1ccc(-c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.54
CDC25B P30305 2/20 0.54
APAF1 O14727 1/20 0.54
CASP3 P42574 1/20 0.54
CASP6 P55212 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
HCRTR1 O43613 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL21164767 0.99 TNKS (0.53) TNKSCDC25BAPAF1CASP3CASP6
SCHEMBL20494623 0.95 CDC25B (0.50) TNKSCDC25BAPAF1CASP3CASP6
SCHEMBL21164816 0.93 CDC25B (0.49) TNKSCDC25BAPAF1CASP3CASP6
SCHEMBL6352575 0.89 KDM4E (0.59) TNKSKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31426904 0.89 KDM4E (0.59) TNKSKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28114342 0.83 KDM4E (0.49) TNKSCDC25BAPAF1CASP3CASP6
SCHEMBL17595097 0.81 CYP1A2 (0.55) CDC25BAPAF1CASP3CASP6SENP8
SCHEMBL11233586 0.81 CA1 (0.68) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26944269 0.80 ACHE (0.53) TNKSKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16548300 0.80 CDC25B (0.49) TNKSCDC25BAPAF1CASP3CASP6

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-10351580-B2 Acene-based transmitter molecules for photon upconversion THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 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-10351580-B2 Acene-based transmitter molecules for photon upconversion ACE, ACE2, AGTR1 TNKS 3195/4885CDC25B 4213/4885APAF1 1581/4885

“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.