SCHEMBL303028

SCHEMBL303028

CCCCCCCCCCCCN([C]=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.44
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
MGLL Q99685 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR2 Q9HBW0 1/20 0.34
GGPS1 O95749 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL11337994 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL302860 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9660982 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9661643 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL270645 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9660234 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL9661090 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL388594 1.00 DNM1 (0.44) DNM1TSHRTHRBMGLLCA12
SCHEMBL59942 0.98 DNM1 (0.40) DNM1TSHRTHRBMGLLCA12
SCHEMBL11667597 0.90 DNM1 (0.48) DNM1TSHRTHRBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1577280-A1 METHOD OF DEUTERIZATION Wako Pure Chemical Industries, Ltd. (JP) 2005-09-21 EP disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-0201033-A2 A method for processing silver halide color photographic materials KONICA CORPORATION (JP) 1986-11-12 EP disclosed
EP-0199351-A2 Silver halide photographic material KONICA CORPORATION (JP) 1986-10-29 EP disclosed
EP-0199604-A2 Processing method for light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1986-10-29 EP disclosed
EP-0187521-A2 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1986-07-16 EP disclosed
EP-0185506-A2 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1986-06-25 EP disclosed
EP-0182486-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1986-05-28 EP disclosed
US-4591548-A 6-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-05-27 US disclosed
EP-0178794-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1986-04-23 EP disclosed
EP-0178165-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1986-04-16 EP disclosed
EP-0168729-A2 Cyan dye-forming couplers and photographic elements and processes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-22 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 (4 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 DNM1 1439/4885TSHR 1299/4885THRB 3448/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 DNM1 162/4885TSHR 2222/4885THRB 4403/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR DNM1 563/4885TSHR 2185/4885THRB 4024/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A DNM1 1158/4885TSHR 2516/4885THRB 3572/4885

“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.