SCHEMBL21929976

SCHEMBL21929976

Cc1ccc(-c2ccc(-c3ccc(C)c4ccccc34)c3ccccc23)c2c1C(=O)N(C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ CASP3 P42574 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ KDM1A O60341 1/20 0.38

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 0.96 CASP3 (0.47) MAPTCASP3CYP1A2MEN1KMT2A
SCHEMBL21930007 0.86 MAPK1 (0.47) MAPTCASP3MEN1KMT2AUSP2
SCHEMBL22000852 0.80 CASP3 (0.36) MAPTCASP3MEN1KMT2AUSP2
SCHEMBL13963497 0.79 CASP3 (0.42) MAPTCASP3MEN1KMT2AUSP2
SCHEMBL22000372 0.77 MAPT (0.33) MAPTCASP3MEN1KMT2AUSP2
SCHEMBL21929972 0.75 ESR1 (0.39) MAPTCASP3CYP1A2MEN1KMT2A
SCHEMBL21929971 0.74 CYP1A2 (0.81) MAPTCYP1A2MEN1KMT2AATM
SCHEMBL21930041 0.74 CYP1A2 (0.81) MAPTCYP1A2MEN1KMT2AATM
SCHEMBL29352205 0.74 CYP1A2 (0.81) MAPTCYP1A2MEN1KMT2AATM
SCHEMBL7937231 0.74 CYP1A2 (0.81) MAPTCYP1A2MEN1KMT2AATM

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 MAPT 1106/4885CASP3 1616/4885CYP1A2 711/4885

“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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