SCHEMBL21929974

SCHEMBL21929974

Cc1ccc(-c2ccc(-c3ccc(C)c4c3C(=O)N(C)C4=O)c3ccccc23)c2c1C(=O)N(C)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ USP2 O75604 2/20 0.45
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HBB P68871 1/20 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
SCHEMBL21929976 0.96 MAPT (0.45) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL21930007 0.89 MAPK1 (0.47) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL22000852 0.83 CASP3 (0.36) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL13963497 0.82 CASP3 (0.42) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL22000372 0.79 MAPT (0.33) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL21929972 0.78 ESR1 (0.39) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL21929969 0.71 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14490216 0.71 TDP2 (0.54) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL13239551 0.71 MEN1 (0.54) CASP3MAPTMEN1KMT2AUSP2
SCHEMBL9968960 0.70 KMT2A (0.67) CASP3MAPTMEN1KMT2AUSP2

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 CASP3 1616/4885MAPT 1106/4885MEN1 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.

Send feedback