SCHEMBL25862811

SCHEMBL25862811

CCCCC1(C#N)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL3530585 0.94 MEN1 (0.34) ALDH1A1NPC1MTORRAB9ATSHR
SCHEMBL4818284 0.92 MEN1 (0.36) ALDH1A1NPC1MTORRAB9ATSHR
SCHEMBL7171314 0.87 NPC1 (0.32) NPC1MTORRAB9ATSHR
SCHEMBL11373490 0.86 NPC1 (0.39) ALDH1A1NPC1MTORRAB9A
SCHEMBL22518978 0.85 TSHR (0.33) NPC1MTORRAB9ATSHRMEN1
SCHEMBL3413093 0.82 TSHR (0.35) NPC1MTORRAB9ATSHR
SCHEMBL10350631 0.81 CYP1A2 (0.34)
SCHEMBL2154404 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23572529 0.80 TSHR (0.36) NPC1MTORRAB9ATSHR
SCHEMBL24308962 0.80 TSHR (0.36) NPC1MTORRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103910829-B rubber composition and golf ball 奇美实业股份有限公司 2016-09-21 CN claimed
WO-2024125974-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION BY USING ALKYL-CYCLOHEXANE CARBONITRILE SOLVENTS SOLVAY SA (BE) 2024-06-20 WO disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
CN-108699048-A Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2018-10-23 CN disclosed
CN-106316865-B The synthetic method of 2 aminomethyl cyclohexylamine 岳阳昌德化工实业有限公司 2018-02-16 CN disclosed
CN-106966908-A For improving the method by aliphatic cyano group aldehyde reduction amination for the catalytic activity of the catalyst system of aliphatic diamine 陶氏环球技术有限责任公司 2017-07-21 CN disclosed
CN-102781905-B Process for improving the catalytic activity of catalyst systems for reductive amination of aliphatic cyanoaldehydes to aliphatic diamines 陶氏环球技术有限责任公司 2017-03-22 CN disclosed
CN-106316865-A Synthetic method of 2-(aminomethyl)cyclohexanamine 岳阳昌德化工实业有限公司 2017-01-11 CN 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ALDH1A1 1763/4885NPC1 1421/4885MTOR 755/4885

“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.