SCHEMBL9322889

SCHEMBL9322889

CCCCCCCCNCCN(CCN)CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
RELA Q04206 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
DNM1 Q05193 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
F13A1 P00488 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
THPO P40225 1/20 0.38
CASP2 P42575 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL11743886 1.00 ALDH1A1 (0.48) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL8047263 1.00 ALDH1A1 (0.48) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL11520416 0.98 TSHR (0.50) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL9452846 0.96 ALDH1A1 (0.52) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL9452827 0.96 ALDH1A1 (0.52) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL18236339 0.94 CYP2C9 (0.47) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL11520236 0.94 ALDH1A1 (0.50) ALDH1A1TSHRRELACYP2C19CYP2C9
SCHEMBL23576162 0.93 DNM1 (0.48) ALDH1A1TSHRRELACYP2C9DNM1
SCHEMBL11205918 0.93 ALDH1A1 (0.48) ALDH1A1TSHRRELACYP2C19TDP1
SCHEMBL11523478 0.92 TSHR (0.52) ALDH1A1TSHRRELACYP2C19CYP2C9

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
EP-0431315-B1 Wood preservative WOLMAN GMBH DR (DE) 1994-02-16 EP claimed
CN-113620812-B Preparation method of N, N' -dioctyl diethylenetriamine standard 山东胜邦绿野化学有限公司 2023-09-22 CN disclosed
CN-113620812-B Preparation method of N, N' -dioctyl diethylenetriamine standard 山东胜邦绿野化学有限公司 2023-09-22 CN disclosed
CN-113620812-B Preparation method of N, N' -dioctyl diethylenetriamine standard 山东胜邦绿野化学有限公司 2023-09-22 CN disclosed
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
EP-0431315-B1 Wood preservative WOLMAN GMBH DR (DE) 1994-02-16 EP disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed
US-4048324-A COPPER SALT OR HYDROXIDE, ALIPHATIC AMINE OR POLYAMINE KOHN ARMAND 1977-09-13 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-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS DDT, ACHE, DDC ALDH1A1 1734/4885TSHR 2287/4885RELA 2182/4885

“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.