SCHEMBL2495982

SCHEMBL2495982

CCC(CC)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
TSHR P16473 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
ALOX15 P16050 4/20 0.46
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALOX12 P18054 3/20 0.46
LMNA P02545 3/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 2/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.46
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.41

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
Methane SCHEMBL28523284 0.98 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10ALOX15
Hydrochloric Acid SCHEMBL17710412 0.98 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL809501 0.91 ALDH1A1 (0.61) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL7937151 0.87 TDP1 (0.59) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL10889654 0.87 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL9572932 0.87 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL20362192 0.87 KCNH3 (0.54) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL10851455 0.87 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL2937099 0.87 KCNH3 (0.54) TDP1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL27484229 0.85 KCNH3 (0.52) TDP1TSHRALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
CN-111343963-B Use of physiologically cooling active ingredients and compositions comprising such active ingredients 巴斯夫欧洲公司 2023-09-12 CN disclosed
WO-2023157864-A1 ORGANIC SEMICONDUCTOR INK, ORGANIC FILM, PHOTOELECTRIC CONVERSION LAYER, METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION LAYER, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT 三菱ケミカル株式会社 2023-08-24 WO disclosed
WO-2023149473-A1 MESOIONIC ARYL PYRIDAZINIUM DERIVATIVE OR SALT THEREOF, INSECTICIDE CONTAINING SAME, AND METHOD FOR USING SAME 日本農薬株式会社 2023-08-10 WO disclosed
WO-2023112943-A1 ORGANIC SEMICONDUCTOR INK, PHOTOELECTRIC CONVERSION LAYER, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT 三菱ケミカル株式会社 2023-06-22 WO disclosed
CN-112321448-A Preparation method of amide-containing Mannich type compound 东华理工大学 2021-02-05 CN disclosed
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
WO-2018103688-A1 IMIDAZO [1,5-A] PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2018-06-14 WO disclosed
CN-106749129-A Pesticidal compound 先正达参股股份有限公司 2017-05-31 CN disclosed
US-7780870-B2 Liquid crystal composition, liquid crystal element, and siloxane polymer FUJIFILM CORPORATION (JP) 2010-08-24 US disclosed
CN-101548207-A Optical film and glass FUJIFILM CORP (JP) 2009-09-30 CN disclosed
US-20090023964-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES SYNGENTA CROP PROTECTION, INC. (US) 2009-01-22 US disclosed
US-20080152843-A1 Liquid Crystal Composition, Liquid Crystal Element, and Siloxane Polymer FUJIFILM CORPORATION (JP) 2008-06-26 US disclosed
EP-1848678-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES Syngeta Participations AG (CH) 2007-10-31 EP disclosed
US-20070218216-A1 Light modulating material FUJIFILM CORPORATION 2007-09-20 US disclosed
WO-2006084663-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES SYNGENTA PARTICIPATIONS AG (CH) 2006-08-17 WO disclosed
WO-2006080573-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND SILOXANE POLYMER FUJIFILM CORPORATION (JP) 2006-08-03 WO disclosed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN disclosed
US-3968188-A Process for preparing the pentaerythritol ester of phosphorohalidous acid MONSANTO COMPANY (US) 1976-07-06 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 (3 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TDP1 4057/4885TSHR 4491/4885ALDH1A1 4446/4885
US-20090023964-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES HPD, CYP4X1, AZI2 TDP1 2049/4885TSHR 3047/4885ALDH1A1 123/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 TDP1 4057/4885TSHR 4491/4885ALDH1A1 4446/4885

“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.