SCHEMBL8446033

SCHEMBL8446033

C=CC(C)(C)C1=C(OC(C)=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ BLM P54132 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CDC25A P30304 2/20 0.37
▸ CDC25B P30305 2/20 0.37
▸ MAP2K7 O14733 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL29359488 1.00 APEX1 (0.38) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL8459098 0.81 MAPT (0.55) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL8459717 0.78 LMNA (0.45) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11365625 0.77 MAPT (0.54) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4784189 0.76 APAF1 (0.50) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL686744 0.72 CDC25B (0.59) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL29355977 0.72 DHODH (0.51) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL11616539 0.72 MAPT (0.50) APEX1ALDH1A1MAPTKDM4EHPGD
SCHEMBL8463187 0.70 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL10959287 0.69 IDO1 (0.54) APEX1ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318788-A1 Microcapsule FOOD AND ENVIRONMENT RESEARCH AGENCY (FERA) REPRESENTING THE SECRETARY OF STATE FOR FOOD, ENVIRONMENT AND RURAL AFFAIRS, THE (GB) 2008-12-25 — — US disclosed
US-20080318788-A1 Microcapsule FOOD AND ENVIRONMENT RESEARCH AGENCY (FERA) REPRESENTING THE SECRETARY OF STATE FOR FOOD, ENVIRONMENT AND RURAL AFFAIRS, THE (GB) 2008-12-25 — — US disclosed
US-20080076666-A1 Formulation FOOD AND ENVIRONMENT RESEARCH AGENCY (FERA) REPRESENTING THE SECRETARY OF STATE FOR FOOD, ENVIRONMENT AND RURAL AFFAIRS, THE (GB) 2008-03-27 — — US disclosed
US-20080076666-A1 Formulation FOOD AND ENVIRONMENT RESEARCH AGENCY (FERA) REPRESENTING THE SECRETARY OF STATE FOR FOOD, ENVIRONMENT AND RURAL AFFAIRS, THE (GB) 2008-03-27 — — US disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 — — US disclosed
EP-0759898-B1 NAPHTHOQUINONE DERIVATIVES BTG INT LTD (GB) 1999-07-14 — — EP disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 — — EP disclosed
US-5834515-A PESTICIDE; TREATING WITH A PLANT EXTRACT FROM A CALCEOLARIA SPECIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-11-10 — — US disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 — — WO 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 (2 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-20080318788-A1 Microcapsule CAPG, CHMP4B, CAT APEX1 4362/4885ALDH1A1 4137/4885MAPT 438/4885
US-20080076666-A1 Formulation UROD, GUSB, GLA APEX1 4006/4885ALDH1A1 902/4885MAPT 42/4885

“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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