SCHEMBL1110032

SCHEMBL1110032

CCCCCC(CC)CCS

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 4/20 0.44
TSHR P16473 3/20 0.44
OPRM1 P35372 1/20 0.44
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 2/20 0.35
ATM Q13315 1/20 0.34
THRB P10828 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
SCHEMBL4610393 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL3098117 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8838781 0.92 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4609866 0.90 ALDH1A1 (0.46) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8886404 0.90 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8883429 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1110043 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4608593 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8885551 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1110056 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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
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
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 EP disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 ALDH1A1 356/4885TDP1 4351/4885LMNA 4477/4885

“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.