SCHEMBL7676938

SCHEMBL7676938

COc1ccc(C(=O)c2ccc(CC(=O)O)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PDE4B Q07343 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ SRD5A2 P31213 1/20 0.44

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
SCHEMBL11813331 0.87 CA1 (0.49) MAPTCA1CA2MEN1KMT2A
SCHEMBL1764282 0.84 ALDH1A1 (0.47) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL7678571 0.82 SRD5A2 (0.46) MEN1KMT2ARAB9AHPGDCYP1A2
SCHEMBL7674517 0.81 LTA4H (0.43) CA1CA2RAB9AHPGDCES2
SCHEMBL7678834 0.81 HPGD (0.48) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL8605243 0.81 PDE4B (0.55) MAPTCA1CA2LMNAMAPK1
SCHEMBL7685125 0.81 RAB9A (0.53) MAPTCA1CA2MEN1KMT2A
SCHEMBL8729528 0.80 LMNA (0.47) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL8605251 0.77 MAPT (0.48) MAPTCA1CA2MEN1KMT2A
SCHEMBL7678368 0.77 MAPT (0.51) MAPTCA1CA2MEN1KMT2A

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 5 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
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — 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 MAPT 4570/4885CA1 3562/4885CA2 4442/4885

“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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