SCHEMBL69669

SCHEMBL69669

NC1CCC(C2CCCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL4088388 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL8840602 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL13006769 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL23352964 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL18900975 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL23221351 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL13007137 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
SCHEMBL23561000 1.00 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2ANOS1
Hydrochloric Acid SCHEMBL3423904 0.97 ALDH1A1 (0.50) ALDH1A1THRBMEN1KMT2A
SCHEMBL22348939 0.97 ALDH1A1 (0.50) ALDH1A1THRBMEN1KMT2ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028430-A1 OPTICAL SUPER-MULTIPLEXING BY POLYYNES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-02-07 WO disclosed
EP-3167025-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-07-18 EP disclosed
EP-2957949-B1 LIQUID CRYSTAL DISPLAY DEVICE DAINIPPON INK & CHEMICALS (JP) 2018-07-18 EP disclosed
EP-3088489-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2018-06-27 EP disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-9950999-B2 Non-ionic low diffusing photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
EP-2997109-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
US-5491188-A ADDING DIAMIDE COMPOUNDS AS NUCLEATING AGENT TO PROPYLENE HOMO-, CO- AND TERPOLYMERS; FILTRATION MEMBRANES, PRINTING SHEETS NEW JAPAN CHEMICAL CO., LTD. (JP) 1996-02-13 US disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
EP-0632095-A2 Porous stretched article of polypropylene-based resin and process for its preparation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1995-01-04 EP disclosed
EP-0557721-A2 Crystalline polypropylene resin composition and amide compounds NEW JAPAN CHEMICAL CO.,LTD. (JP) 1993-09-01 EP disclosed
EP-0066231-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED URETHANES BAYER AG (DE) 1985-09-11 EP disclosed
EP-0087047-B1 PROCESS FOR THE PREPARATION OF N SUBSTITUTED URETHANES BAYER AG (DE) 1985-08-07 EP disclosed
EP-0087047-A2 Process for the preparation of N substituted urethanes BAYER AG (DE) 1983-08-31 EP disclosed
EP-0066231-A2 Process for the preparation of N-substituted urethanes BAYER AG (DE) 1982-12-08 EP disclosed
US-4130652-A 2-(Iminoethylidene)-pyrrolidines and tautomeric 2-(aminoethenyl)-1-pyrrolines CIBA-GEIGY CORPORATION (US) 1978-12-19 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 (1 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-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS PFAS, PLG, PPARG ALDH1A1 888/4885THRB 1290/4885MEN1 4852/4885

“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.