SCHEMBL85043

SCHEMBL85043

CC(C)(C)c1ccc2c(c1)CCC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSD17B1 P14061 3/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLA2G1B P04054 1/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
GRM5 P41594 1/20 0.46
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL30382651 1.00 CASP1 (0.55) CASP1CASP7HSD17B10HSD17B1NPC1
SCHEMBL10627415 0.91 MAOA (0.56) CASP1CASP7HSD17B10HSD17B1NPC1
SCHEMBL22797297 0.86 ALDH1A1 (0.60) CASP1CASP7HSD17B10NPC1ALDH1A1
SCHEMBL20024355 0.85 ALDH1A1 (0.47) CASP1CASP7HSD17B10NPC1ALDH1A1
SCHEMBL28363380 0.85 CASP1 (0.52) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL31143658 0.84 PBRM1 (0.55) CASP1CASP7HSD17B10HSD17B1NPC1
SCHEMBL6207175 0.84 PBRM1 (0.55) CASP1CASP7HSD17B10HSD17B1NPC1
SCHEMBL24146556 0.84 ALDH1A1 (0.48) CASP1CASP7HSD17B10NPC1ALDH1A1
SCHEMBL14163813 0.82 NPC1 (0.54) CASP1CASP7HSD17B10HSD17B1NPC1
SCHEMBL1857006 0.80 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1GRM5

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
CN-116082131-B Method for synthesizing 1-indanone compound by one-pot method 苏州华道生物药业股份有限公司 2024-04-05 CN disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-7015233-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-03-21 US disclosed
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBVIE INC. 2006-02-16 US disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-12-16 US disclosed
US-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US disclosed
EP-0685444-B1 Aromatic compounds and their use in perfumery FIRMENICH & CIE (CH) 2000-04-05 EP disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed
EP-0685444-A1 Aromatic compounds and their use in perfumery FIRMENICH SA (CH) 1995-12-06 EP 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 (8 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CASP1 4590/4885CASP7 4069/4885HSD17B10 2371/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CASP1 4596/4885CASP7 2101/4885HSD17B10 2437/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CASP1 4627/4885CASP7 3945/4885HSD17B10 2569/4885
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor TRPV1, TRPV2, OPRL1 CASP1 469/4885CASP7 1840/4885HSD17B10 1587/4885
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, TRPV2 CASP1 323/4885CASP7 1687/4885HSD17B10 1451/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CASP1 4668/4885CASP7 3867/4885HSD17B10 2588/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CASP1 284/4885CASP7 1115/4885HSD17B10 2807/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 CASP1 678/4885CASP7 2692/4885HSD17B10 2652/4885

“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.