SCHEMBL4319979

SCHEMBL4319979

Cn1ccc2c3c(ccc21)CC=CO3

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.34
DHFR P00374 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4328205 0.77 ASH1L (0.31)
SCHEMBL18527247 0.70 DAO (0.41) NQO2DHFRKDM4EALDH1A1MAPT
SCHEMBL1752671 0.66 TDP1 (0.39) ALDH1A1
SCHEMBL18527270 0.65 TDP1 (0.36) NQO2DHFRKDM4EALDH1A1MAPT
SCHEMBL12278359 0.64 KDM4E (0.46) NQO2DHFRKDM4EALDH1A1MAPT
SCHEMBL4321386 0.64
SCHEMBL4332262 0.63 DRD2 (0.35)
SCHEMBL12043458 0.61 CYP1A2 (0.31) ALDH1A1
SCHEMBL5354038 0.59 KDM4E (0.38) NQO2DHFRKDM4EALDH1A1MAPT
SCHEMBL277665 0.59

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-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 NQO2 271/4885DHFR 1489/4885KDM4E 486/4885

“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.