SCHEMBL2733772

SCHEMBL2733772

CCCCCNC1(NCCCCC)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 11/20 0.37
NAAA Q02083 1/20 0.35
GBA1 P04062 3/20 0.33
EPHX2 P34913 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 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
SCHEMBL3443660 0.98 EPHX1 (0.41) ALDH1A1TSHREPHX1NAAAGBA1
SCHEMBL23699779 0.83 SSTR3 (0.31)
SCHEMBL9801483 0.78 ALDH1A1 (0.37) ALDH1A1TSHREPHX1NAAAGBA1
SCHEMBL8508675 0.78 EPHX1 (0.39) ALDH1A1TSHREPHX1NAAAGBA1
SCHEMBL9207124 0.78 EPHX1 (0.39) ALDH1A1TSHREPHX1NAAAGBA1
SCHEMBL9801106 0.78 ALDH1A1 (0.37) ALDH1A1TSHREPHX1NAAAGBA1
SCHEMBL18415520 0.78 GRIN2D (0.40) ALDH1A1TSHREPHX1NAAAEPHX2
SCHEMBL9801608 0.77 NAAA (0.40) EPHX1NAAAGBA1EPHX2
SCHEMBL9801712 0.77 NAAA (0.40) EPHX1NAAAGBA1EPHX2
SCHEMBL9801012 0.77 NAAA (0.40) EPHX1NAAAGBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10237034-A None JP disclosed
WO-2025097688-A1 ADHESIVE COMPOSITION AND PREPARATION METHOD THEREFOR, BATTERY PACK, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2025-05-15 WO disclosed
CN-102369253-B Oil gelling agent, oil gel composition containing the same, and external preparation for skin or cosmetic containing the same KOSE CORP 2014-01-15 CN disclosed
CN-102369253-A Oil gelling agent, oil gel composition containing the same, and external preparation for skin or cosmetic containing the same KOSE CORP 2012-03-07 CN disclosed
JP-2011225557-A SOLID CLEANSING AGENT KOSE CORP 2011-11-10 JP disclosed
WO-2010100939-A1 OIL GELLING AGENT, COMPOSITION CONTAINING OIL GELLING AGENT, AND EXTERNAL PREPARATION OR COSMETIC FOR SKIN 株式会社コーセー (JP) 2010-09-10 WO disclosed
EP-1473027-B1 Basic amino acid derivatives as gelling agents AJINOMOTO KK (JP) 2010-03-31 EP disclosed
US-6921747-B2 Basic amino acid derivatives AJINOMOTO CO., INC. (JP) 2005-07-26 US disclosed
US-20040248812-A1 Basic amino acid derivatives AJINOMOTO CO. INC (JP) 2004-12-09 US disclosed
EP-1473027-A1 Basic amino acid derivatives as gelation agents Ajinomoto Co., Inc. (JP) 2004-11-03 EP disclosed
JP-H10237034-A COMPOSITION CONTAINING BIS(ACYLAMINO)CYCLOHEXANE DERIVATIVE POLA CHEM IND INC 1998-09-08 JP 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-20040248812-A1 Basic amino acid derivatives BCAT1, BCAT2, SLC7A1 ALDH1A1 1171/4885TSHR 2817/4885EPHX1 3673/4885

“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.