SCHEMBL214819

SCHEMBL214819

CCC(C)c1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP2C9 P11712 2/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2179249 0.84 RIPK1 (0.36) TRPA1TAAR1SMN1; SMN2
SCHEMBL7498722 0.82 TRPA1 (0.41) TSHRALDH1A1TRPA1TAAR1SMN1; SMN2
SCHEMBL3602217 0.82 AOC3 (0.34) TAAR1
SCHEMBL3603421 0.82 AOC3 (0.34) TAAR1
SCHEMBL3617032 0.82 AOC3 (0.34) TAAR1
SCHEMBL7821122 0.82 TAAR1 (0.33) TAAR1
SCHEMBL20854118 0.81 POLB (0.36) ALDH1A1TAAR1
SCHEMBL2178249 0.81 LMNA (0.35) HDAC8TAAR1LMNACYP2D6
SCHEMBL7470927 0.80 PBRM1 (0.36) ALDH1A1HPGDUSP2ALOX15HSD17B10
SCHEMBL20774449 0.80 ALDH1A1 (0.33) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO claimed
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP claimed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US claimed
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 WO claimed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 US claimed
WO-2010042657-A1 USE OF DIINDOLYLMETHANE (DIM) COMPOUNDS AND DERIVATIVES AS NEUROPROTECTIVE AGENTS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-04-15 WO claimed
US-20100087504-A1 Use of Diindolylmethane (DIM) Compounds and Derivatives as Neuroprotective Agents COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-04-08 US claimed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US claimed
US-5206149-A Reaction of peroxidase, oxidant, luminol and 2-hydroxy-9-fluorenone enhancer; chemiluminescence TORAY INDUSTRIES, INC. (JP) 1993-04-27 US claimed
US-4714734-A POLYSILOXANE CONTAINING AROMATIC RING CONSTITUENT HAVING SMALL'S MOLECULAR ATTRACTION CONSTANT NOT SMALLER THAN 350 BRIDGESTONE CORP. (JP) 1987-12-22 US claimed
US-4350699-A PESTICIDES; INSECTICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1982-09-21 US claimed
US-4308274-A INSECTICIDES, PESTICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-12-29 US claimed
US-4263318-A INSECTICIDES THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-21 US claimed
US-4261897-A N-Chlorosulfinylcarbamate esters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-14 US claimed
US-4262015-A INSECTICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-14 US claimed
US-4139487-A PLASTICIZERS FOR POLYVINYL CHLORIDE, FLEXIBILITY AT LOW TEMPERATURES ALBRIGHT & WILSON LIMITED (GB) 1979-02-13 US claimed
US-3941829-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-03-02 US claimed
US-3935250-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-01-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 HDAC4 2241/4885HDAC2 1905/4885HDAC8 1474/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD HDAC4 973/4885HDAC2 1039/4885HDAC8 1815/4885
US-20100087504-A1 Use of Diindolylmethane (DIM) Compounds and Derivatives as Neuroprotective Agents AIFM1, NLN, SNCA HDAC4 1056/4885HDAC2 289/4885HDAC8 494/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP HDAC4 2150/4885HDAC2 2848/4885HDAC8 2171/4885

“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.