SCHEMBL21930007

SCHEMBL21930007

CCN1C(=O)c2c(C)ccc(-c3ccc(-c4ccc(C)c5c4C(=O)N(C)C5=O)c4ccccc34)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ CYP1B1 Q16678 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ USP2 O75604 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21929974 0.89 CASP3 (0.47) MAPK1MEN1KMT2AUSP2ATM
SCHEMBL21929976 0.86 MAPT (0.45) MAPK1MEN1KMT2AUSP2ATM
SCHEMBL20576762 0.82 CYP1B1 (0.35) MAPK1CYP1B1MEN1KMT2AUSP2
SCHEMBL12377215 0.79 MAPK1 (0.47) MAPK1CYP1B1MEN1KMT2AUSP2
SCHEMBL22000372 0.79 MAPT (0.33) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL22000852 0.74 CASP3 (0.36) MAPK1MEN1KMT2AUSP2ATM
SCHEMBL13963497 0.73 CASP3 (0.42) MAPK1MEN1KMT2AUSP2ATM
SCHEMBL14560576 0.71 MAPK1 (0.62) MAPK1CYP1B1MEN1KMT2AUSP2
SCHEMBL21929972 0.69 ESR1 (0.39) MAPK1MEN1KMT2AUSP2ATM
SCHEMBL12235632 0.69 CYP1B1 (0.58) MAPK1CYP1B1MEN1KMT2AUSP2

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-20200148541-A1 AN APPROACH TO A BOTTOM-UP SYNTHESIS OF NANOCARBONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-05-14 — — US disclosed
US-20200148541-A1 AN APPROACH TO A BOTTOM-UP SYNTHESIS OF NANOCARBONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-05-14 — — 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-20200148541-A1 AN APPROACH TO A BOTTOM-UP SYNTHESIS OF NANOCARBONS TYMS, NCL, PFAS MAPK1 4121/4885CYP1B1 215/4885MEN1 3611/4885

“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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