SCHEMBL11095129

SCHEMBL11095129

CCCCC(N)C(N)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DNM1 Q05193 2/20 0.45
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42

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
SCHEMBL24017046 1.00 OPRM1 (0.50) OPRM1ALDH1A1TDP1DNM1CYP2D6
SCHEMBL9794616 0.94 OPRM1 (0.46) OPRM1ALDH1A1TDP1DNM1CYP2D6
SCHEMBL14232499 0.94 OPRM1 (0.60) OPRM1ALDH1A1TDP1DNM1CYP2D6
SCHEMBL8075374 0.91 OPRM1 (0.57) OPRM1DNM1CYP2D6SPHK1LMNA
SCHEMBL5050619 0.91 ALDH1A1 (0.46) OPRM1ALDH1A1TDP1DNM1CYP2D6
SCHEMBL615266 0.90 OPRM1 (0.63) OPRM1DNM1CYP2D6SPHK1LMNA
SCHEMBL8992571 0.88 ALDH1A1 (0.50) OPRM1ALDH1A1TDP1DNM1CYP2D6
SCHEMBL24017118 0.87 OPRM1 (0.60) OPRM1DNM1CYP2D6SPHK1LMNA
SCHEMBL16432729 0.87 OPRM1 (0.60) OPRM1DNM1CYP2D6SPHK1LMNA
SCHEMBL8934995 0.87 OPRM1 (0.60) OPRM1DNM1CYP2D6SPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209525-A Method for flotation of silicate-containing iron ore 巴斯夫欧洲公司 2023-06-02 CN disclosed
WO-2021223156-A1 DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-11-11 WO disclosed
US-10038148-B2 Borylated compounds THE UNIVERSITY OF MANCHESTER (GB) 2018-07-31 US disclosed
US-20170110660-A1 BORYLATED COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2017-04-20 US disclosed
CN-102850471-A Use of catalysts for the metathesis degradation of nitrile rubber LANXESS DEUTSCHLAND GMBH 2013-01-02 CN disclosed
EP-0036129-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLES BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
EP-0036521-B1 PREPARATION OF 2-IMIDAZOLINES BASF Aktiengesellschaft (DE) 1983-10-19 EP disclosed
EP-0025191-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLES BASF Aktiengesellschaft (DE) 1983-05-25 EP disclosed
EP-0036519-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLE BASF Aktiengesellschaft (DE) 1983-03-02 EP disclosed
US-4340745-A Preparation of 2-imidazolines BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
US-4340744-A METAL OXIDES AS CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0036521-A1 Preparation of 2-imidazolines BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
EP-0036519-A1 Process for the preparation of imidazole BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
EP-0036129-A1 Process for the preparation of imidazoles BASF Aktiengesellschaft (DE) 1981-09-23 EP disclosed
EP-0025191-A1 Process for the preparation of imidazoles BASF Aktiengesellschaft (DE) 1981-03-18 EP disclosed
US-4218559-A FUSED PYRAZINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1980-08-19 US disclosed
EP-0000208-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLES BASF Aktiengesellschaft (DE) 1980-04-30 EP disclosed
EP-0000208-A1 Process for the preparation of imidazoles BASF Aktiengesellschaft (DE) 1979-01-10 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 (2 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-10038148-B2 Borylated compounds EYA3, EYA2, BLM OPRM1 3211/4885ALDH1A1 1615/4885TDP1 1792/4885
US-20170110660-A1 BORYLATED COMPOUNDS EYA3, EYA2, BLM OPRM1 3211/4885ALDH1A1 1615/4885TDP1 1792/4885

“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.