SCHEMBL241109

SCHEMBL241109

C[C@@H](Cc1c(-c2ccc3c(C(N)=O)cccc3c2)ccc2c(C(N)=O)cccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PLA2G10 O15496 3/20 0.36
PLA2G2A P14555 3/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PLA2G12B Q9BX93 1/20 0.36
PLA2G12A Q9BZM1 1/20 0.36
PLA2G2F Q9BZM2 1/20 0.36
PLA2G3 Q9NZ20 1/20 0.36
PLA2G2E Q9NZK7 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TACR3 P29371 2/20 0.36
PARP1 P09874 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AURKA O14965 2/20 0.35

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
SCHEMBL241943 0.88 RPS6KB1 (0.41) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL241944 0.77 KDM4E (0.44) KDM4EALDH1A1GAATACR3PARP1
SCHEMBL241110 0.76 NPC1 (0.53) KDM4EALDH1A1GAAKDR
SCHEMBL634882 0.71 KDM4E (0.65) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL355595 0.70 TRPM8 (0.46) KDM4EALDH1A1GAATACR3PARP1
SCHEMBL5014949 0.70 KDM4E (0.55) KDM4EALDH1A1GAAPARP1KDR
SCHEMBL27946072 0.69 NPC1 (0.45) KDM4EALDH1A1NR3C2
SCHEMBL5023244 0.69 PARP1 (0.50) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL355594 0.67 RPS6KB1 (0.45) KDM4EALDH1A1GAAAURKARPS6KB1
SCHEMBL5016686 0.67 KDM4E (0.48) KDM4EALDH1A1GAAPARP1AURKA

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-8487131-B2 Optically pure apogossypol derivative as pan-active inhibitor of anti-apoptotic B-cell lymphoma/leukemia-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-16 US disclosed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 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-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) BCL3, BCL9, BCL2 KDM4E 3932/4885ALDH1A1 3592/4885GAA 1560/4885

“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.