SCHEMBL6115173

SCHEMBL6115173

CCOC(=O)c1cc2c(n1Cc1ccccc1)C(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ATM Q13315 1/20 0.52
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
PLCG1 P19174 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.45
F10 P00742 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL18250041 0.98 MAPT (0.52) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL1160587 0.91 NOD2 (0.54) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL23853822 0.90 ALDH1A1 (0.47) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL31681751 0.90 ALDH1A1 (0.47) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL31681753 0.90 MAPT (0.54) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL31681757 0.90 NOD2 (0.55) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL23852569 0.89 MAPT (0.53) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL23854160 0.89 NOD2 (0.44) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL23853369 0.89 NOD2 (0.44) TSHRALDH1A1MAPTPOLBTDP1
SCHEMBL6115574 0.88 MEN1 (0.45) TSHRALDH1A1MAPTPOLBTDP1

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-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2012-05-24 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-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY PCNA, ERCC4, UBQLN2 TSHR 4520/4885ALDH1A1 748/4885MAPT 2884/4885

“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.