SCHEMBL2999797

SCHEMBL2999797

C1CCCC(C2CCCC2)CC1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.89
HSD17B10 Q99714 1/20 0.40
SLC18A3 Q16572 1/20 0.39
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
HIF1A Q16665 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL2278796 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL11359726 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL48866 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
Biphenyl SCHEMBL2997707 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL7738712 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL7739675 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL7741464 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL22284064 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL22284066 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1
SCHEMBL231054 1.00 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2018-03-15 US claimed
JP-2007501805-A 2007-02-01 JP claimed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO claimed
EP-0259752-A2 Saccharide phosphates, their esters and method for their preparation BAYER AG (DE) 1988-03-16 EP claimed
WO-2023036156-A1 DNA-PK SELECTIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2023-03-16 WO disclosed
WO-2018127936-A1 NOVEL ECONOMIC METAL FREE PROCESS FOR APIXABAN HIKAL LIMITED (IN) 2018-07-12 WO disclosed
EP-2009304-B1 TORQUE LIMITER JTEKT CORP (JP) 2014-10-01 EP disclosed
EP-2003353-B1 TORQUE LIMITER JTEKT CORP (JP) 2014-06-04 EP disclosed
US-8230986-B2 Torque limiter JTEKT CORPORATION (JP) 2012-07-31 US disclosed
US-8220609-B2 Torque limiter JTEKT CORPORATION (JP) 2012-07-17 US disclosed
US-20100184519-A1 TORQUE LIMITER JTEKT CORPORATION (JP) 2010-07-22 US disclosed
US-5859042-A ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP disclosed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO disclosed
EP-0143385-B1 PHOSPHORYLISED GLYCOSIL AMIDES, UREAS, CARBAMATES AND THIOCARBAMATES, METHOD FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1989-03-15 EP disclosed
EP-0259752-A2 Saccharide phosphates, their esters and method for their preparation BAYER AG (DE) 1988-03-16 EP disclosed
US-4686208-A Phosphorylated glycosyl-amides, -ureas, -carbamates and -thiocarbamates and method of use BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0143385-A2 Phosphorylised glycosil amides, ureas, carbamates and thiocarbamates, method for their preparation and their use BAYER AG (DE) 1985-06-05 EP 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-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS CLPP, HPD, PDXK ALDH1A1 905/4885HSD17B10 3420/4885SLC18A3 4790/4885

“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.