SCHEMBL846833

SCHEMBL846833

CC(C)(C)c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.75
TRPV1 Q8NER1 2/20 0.61
HCAR2 Q8TDS4 2/20 0.59
CA12 O43570 1/20 0.59
AKR1B10 O60218 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ESR1 P03372 1/20 0.59
CA3 P07451 1/20 0.59
PKM P14618 1/20 0.59
TYR P14679 1/20 0.59
AKR1B1 P15121 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
DPP4 P27487 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
ESR2 Q92731 1/20 0.59
CA14 Q9ULX7 1/20 0.59

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
SCHEMBL4001354 1.00 CYP1A2 (0.75) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL818742 1.00 CYP1A2 (0.75) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL4805633 0.94 CYP1A2 (0.68) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL6570565 0.88 HCAR2 (0.59) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL5573179 0.87 CYP1A2 (0.62) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL5573185 0.87 CYP1A2 (0.62) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL26382466 0.86 CYP1A2 (1.00) CYP1A2TRPV1TYRSMN1; SMN2NPC1
SCHEMBL4575016 0.85 HCAR2 (0.55) CYP1A2TRPV1HCAR2CA12AKR1B10
SCHEMBL11395099 0.84 CYP1A2 (0.75) CYP1A2TRPV1HDAC1SMN1; SMN2NPC1
SCHEMBL798102 0.84 CYP1A2 (0.75) CYP1A2TRPV1HDAC1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365830-B2 Ligand-exchangeable janus nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US claimed
US-20220259490-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2022-08-18 US claimed
WO-2020252075-A1 LIGAND-EXCHANGEABLE JANUS NANOPARTICLES AND METHODS OF MAKING THE SAME ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-12-17 WO claimed
US-10544168-B2 Ligand-exchangeable nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2020-01-28 US claimed
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2017-12-21 US claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP claimed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US claimed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP claimed
EP-1429768-A1 NOVEL MEDICAMENTS FOR INHALATION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-06-23 EP claimed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO claimed
WO-2003024452-A1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO claimed
US-5961875-A Antifreeze/coolant composition containing cinnamic acid CCI CO., LTD. (JP) 1999-10-05 US claimed
US-12365830-B2 Ligand-exchangeable janus nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US disclosed
WO-1995004713-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS THE UPJOHN COMPANY (US) 1995-02-16 WO disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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 (6 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP1A2 2153/4885TRPV1 1/4885HCAR2 89/4885
US-10544168-B2 Ligand-exchangeable nanoparticles and methods of making the same CA6, CA13, EPCAM CYP1A2 432/4885TRPV1 1068/4885HCAR2 11/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CYP1A2 2099/4885TRPV1 1/4885HCAR2 105/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 CYP1A2 357/4885TRPV1 1713/4885HCAR2 1873/4885
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME CA6, CA13, EPCAM CYP1A2 432/4885TRPV1 1068/4885HCAR2 11/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 CYP1A2 592/4885TRPV1 578/4885HCAR2 1526/4885

“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.