SCHEMBL2162391

SCHEMBL2162391

O=C1CCN2C=CC=CC2=N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 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
SCHEMBL892819 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPOLBHSD17B10
Hydrochloric Acid SCHEMBL3306488 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPOLBHSD17B10
Bromide SCHEMBL3576597 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL11683434 0.69 NOS3 (0.41) ALDH1A1KDM4EHPGDMEN1MAPT
Pentane SCHEMBL28765480 0.69 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL9336565 0.69
SCHEMBL870972 0.68
SCHEMBL4554180 0.68 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL11326257 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL2230323 0.67 ALDH1A1 (0.30) ALDH1A1HPGDHSD17B10

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565074-B1 Process for the preparation of binary sensitizing dyes EASTMAN KODAK CO (US) 1999-08-25 EP claimed
EP-0565074-A2 Process for the preparation of binary sensitizing dyes EASTMAN KODAK COMPANY (US) 1993-10-13 EP claimed
US-4105673-A PROCESS FOR THE PREPARATION OF LACTONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-08-08 US claimed
US-9441179-B2 Silicon wafer processing solution and silicon wafer processing method IDEMITSU KOSAN CO., LTD. (JP) 2016-09-13 US disclosed
US-20150045264-A1 SILICON WAFER PROCESSING SOLUTION AND SILICON WAFER PROCESSING METHOD IDEMITSU KOSAN CO., LTD. (JP) 2015-02-12 US disclosed
EP-2610896-A1 SILICON WAFER PROCESSING SOLUTION AND SILICON WAFER PROCESSING METHOD Idemitsu Kosan Co., Ltd. (JP) 2013-07-03 EP disclosed
US-20130143405-A1 SILICON WAFER PROCESSING SOLUTION AND SILICON WAFER PROCESSING METHOD IDEMITSU KOSAN CO., LTD. (JP) 2013-06-06 US disclosed
US-8263779-B2 Method for separating and purifying α-unsaturated amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20110184184-A1 METHOD FOR SEPARATING AND PURIFYING alpha- UNSATURATED AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-28 US disclosed
EP-2186802-A1 METHOD FOR SEPARATING AND PURIFYING ALPHA -UNSATURATED AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-05-19 EP disclosed
US-7238812-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEJI SEIKA KAISHA, LTD. (JP) 2007-07-03 US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN disclosed
US-4472389-A Substituted pyrimidinyl organophosphorus insecticides UNIROYAL, INC. (US) 1984-09-18 US disclosed
US-4206310-A Process for the preparation of esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4105673-A PROCESS FOR THE PREPARATION OF LACTONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-08-08 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-20110184184-A1 METHOD FOR SEPARATING AND PURIFYING alpha- UNSATURATED AMINE COMPOUND HRH3, H1-0, DEGS1 ALDH1A1 124/4885KDM4E 3523/4885HPGD 1048/4885

“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.