SCHEMBL1109996

SCHEMBL1109996

CCCCC(CCCC)CCCS

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 4/20 0.44
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.40
DNM1 Q05193 2/20 0.39
ENPEP Q07075 1/20 0.38
CA2 P00918 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 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
SCHEMBL1109988 0.95 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL1110169 0.92 LMNA (0.52) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29860335 0.89 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL28990464 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1
SCHEMBL26959854 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1
SCHEMBL18256173 0.89 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL15865711 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1
SCHEMBL4608204 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1
SCHEMBL28990468 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1
SCHEMBL28101257 0.89 LMNA (0.54) ALDH1A1TDP1TSHRLMNADNM1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515817-A Modified nitrile rubber, preparation method thereof, hydrogenated nitrile rubber and application thereof 中国石油化工股份有限公司 2024-08-20 CN claimed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN claimed
CN-1128765-A Aqueous polymer latex JIULIAN CHEMICAL IND CO LTD (CN) 1996-08-14 CN claimed
CN-118515817-A Modified nitrile rubber, preparation method thereof, hydrogenated nitrile rubber and application thereof 中国石油化工股份有限公司 2024-08-20 CN disclosed
CN-111302926-B Beta-diketone cerium (IV) compound and preparation and application thereof 湖北固润科技股份有限公司 2024-04-02 CN disclosed
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN disclosed
US-9512149-B2 Reactive compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN disclosed
US-20150353583-A1 REACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-10 US disclosed
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 EP disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
EP-0764636-B1 Thiopropionate synergists GOODYEAR TIRE & RUBBER (US) 2001-03-07 EP disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672730-A OXIDATION RESIST STABILIZER FOR POLYMERIC BLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-09-30 US disclosed
EP-0764636-A2 Thiopropionate synergists THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-03-26 EP disclosed
CN-1128765-A Aqueous polymer latex JIULIAN CHEMICAL IND CO LTD (CN) 1996-08-14 CN disclosed
US-5527919-A Process for the preparation of 1-[(1,1'-biphenyl]-4-YL]-methyl-1H-imidazole-5-carboxylic acids ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
US-4255331-A 3-Acetoxy-9β-11β-epoxy-dienes and the preparation of the corresponding 6α-halogen-4-ene-3-ones PROCHEM ESTABLISHMENT (LI) 1981-03-10 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-20150353583-A1 REACTIVE COMPOUND AR, AHR, ROS1 ALDH1A1 1371/4885TDP1 3640/4885CYP3A4 672/4885

“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.