SCHEMBL4125544

SCHEMBL4125544

CCC(C)OC=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.39
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL23620719 1.00 HCAR2 (0.39) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL6059983 0.77
SCHEMBL6059987 0.77
SCHEMBL1323596 0.74 HCAR2 (0.39) HCAR2
SCHEMBL1832224 0.72 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
Fumaric Acid SCHEMBL7565352 0.72 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
Fumaric Acid SCHEMBL7565361 0.72 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL1579344 0.72 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL451816 0.72 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL11103116 0.72 HCAR2 (0.34) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104231715-B A kind of mechanical workpieces paint remover and preparation method thereof Jurong Jinhou Machinery Research Institute Co., Ltd. (CN) 2016-04-06 CN claimed
CN-104231715-A Paint remover for mechanical workpiece and preparation method thereof JURONG JINGHOU MACHINERY RES INST CO LTD 2014-12-24 CN claimed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2685981-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
CN-104231715-B A kind of mechanical workpieces paint remover and preparation method thereof Jurong Jinhou Machinery Research Institute Co., Ltd. (CN) 2016-04-06 CN disclosed
CN-104231715-B A kind of mechanical workpieces paint remover and preparation method thereof Jurong Jinhou Machinery Research Institute Co., Ltd. (CN) 2016-04-06 CN disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8921368-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-30 US disclosed
CN-104231715-A Paint remover for mechanical workpiece and preparation method thereof JURONG JINGHOU MACHINERY RES INST CO LTD 2014-12-24 CN disclosed
EP-2686321-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2014-01-22 EP disclosed
EP-2685981-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2014-01-22 EP disclosed
US-20140011795-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
WO-2012125886-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
US-20090148615-A1 METHOD FOR ATMOSPHERIC PLASMA DEPOSITION OF CONJUGATED POLYMER COATINGS WIAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK N.V. (VITO) (BE) 2009-06-11 US disclosed
EP-1954412-A1 A METHOD FOR ATMOSPHERIC PLASMA DEPOSITION OF CONJUGATED POLYMER COATINGS VLAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK (VITO) (BE) 2008-08-13 EP disclosed
WO-2007053916-A1 A METHOD FOR ATMOSPHERIC PLASMA DEPOSITION OF CONJUGATED POLYMER COATINGS VLAAMSE INSTELLING VOOR TECHNOLOGISCH ONDERZOEK (VITO) (BE) 2007-05-18 WO disclosed
EP-1785198-A1 A method for atmospheric plasma deposition of conjugated polymer coatings Vlaamse Instelling voor Technologisch Onderzoek (BE) 2007-05-16 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-20140011795-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 HCAR2 2881/4885GABRP 1342/4885GABRD 2733/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 HCAR2 2884/4885GABRP 1592/4885GABRD 3131/4885

“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.