SCHEMBL1171605

SCHEMBL1171605

CCC(C(=O)O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 6/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ DRD2 P14416 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL4976355 1.00 SLC18A3 (0.47) SLC18A3KDM4EALDH1A1AKR1C3AKR1C1
SCHEMBL600742 0.88 ESR2 (0.49) —
SCHEMBL4975063 0.86 IDO1 (0.48) DRD2PRCP
SCHEMBL3900477 0.86 IDO1 (0.48) DRD2PRCP
SCHEMBL5368277 0.84 AKR1C3 (0.44) SLC18A3KDM4EALDH1A1AKR1C3AKR1C1
Hydrochloric Acid SCHEMBL5374122 0.83 AKR1C3 (0.42) SLC18A3KDM4EALDH1A1AKR1C3AKR1C1
SCHEMBL5967397 0.80 — —
SCHEMBL6270743 0.80 — —
SCHEMBL17730076 0.79 PSMB5 (0.42) KDM4EALDH1A1AKR1C3NPC1RAB9A
SCHEMBL20838768 0.78 KCNH2 (0.48) SLC18A3KDM4EALDH1A1AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 — — US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 — — US disclosed
EP-3151820-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-04-12 — — EP disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 — — WO disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — US disclosed
EP-2203412-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 — — EP disclosed
EP-2203058-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 — — EP disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 — — WO disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 — — WO disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 — — US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 — — 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 (5 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 SLC18A3 1011/4885KDM4E 1945/4885ALDH1A1 1479/4885
US-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SLC18A3 1890/4885KDM4E 2099/4885ALDH1A1 219/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT SLC18A3 1890/4885KDM4E 2099/4885ALDH1A1 219/4885
US-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG SLC18A3 4741/4885KDM4E 697/4885ALDH1A1 578/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 SLC18A3 592/4885KDM4E 1921/4885ALDH1A1 1365/4885

“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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