SCHEMBL7678745

SCHEMBL7678745

CCc1c2c(n(C)c1C(=O)c1ccccc1)C(C)C(=O)O2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 5/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.32
SRD5A2 P31213 1/20 0.32
POLB P06746 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
SCHEMBL7682007 0.83 MAPT (0.38) ALDH1A1SMN1; SMN2MAPTLMNAHSD17B10
SCHEMBL7682237 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL7675544 0.72 MEN1 (0.36) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL7675834 0.71 ABCB11 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL7676758 0.69 NPSR1 (0.40) ALDH1A1KDM4ELMNAGLA
SCHEMBL7675553 0.61 PTGS2 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
Phthalic Acid SCHEMBL27656545 0.60 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL7768843 0.60 AKR1C3 (0.60) ALDH1A1KDM4EMAPTHSD17B10POLB
Benzophenone SCHEMBL8089683 0.60 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL28548575 0.59 AKR1C3 (0.58) ALDH1A1KDM4EMAPTHSD17B10POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A ALDH1A1 208/4885SMN1; SMN2 2392/4885KDM4E 1130/4885

“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.