SCHEMBL2888682

SCHEMBL2888682

COCOC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 3/20 0.44
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13005842 0.89 NPSR1 (0.49) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL1397825 0.82 NPSR1 (0.47) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL4806381 0.82 TSHR (0.42) NPSR1TSHREPHX2
SCHEMBL10069432 0.81 NPSR1 (0.40) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL23933250 0.81 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL23933284 0.81 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL23933249 0.81 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL1397649 0.80 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1
SCHEMBL4340777 0.79 NPSR1 (0.47) NPSR1TSHREPHX2ALDH1A1MEN1
SCHEMBL4567260 0.76 TSHR (0.46) NPSR1TSHREPHX2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9128373-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
US-9128373-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20120258405-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258405-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120219912-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120219912-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 NPSR1 202/4885TSHR 989/4885EPHX2 2169/4885
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE C1S, CCNL2, CCNT1 NPSR1 706/4885TSHR 3138/4885EPHX2 2832/4885

“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.