SCHEMBL126785

SCHEMBL126785

CC(C)COCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.35
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23450964 0.81
SCHEMBL16772325 0.81
SCHEMBL9872360 0.79 HSD17B10 (0.46) PLA2G2CHTTCYP2C9TSHRCYP2C19
SCHEMBL16077740 0.79
Lithium Ion SCHEMBL30715888 0.77 CYP2C9 (0.34) PLA2G2CCYP2C9TSHRCYP2C19HIF1A
SCHEMBL1717655 0.77 TDP1 (0.33) PLA2G2C
SCHEMBL16885288 0.77 HTT (0.34) PLA2G2CHTTHSD17B10
SCHEMBL12339200 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20825494 0.75 AOC1 (0.30)
SCHEMBL16939054 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230157290-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD (CN) 2023-05-25 US disclosed
US-20230157290-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD (CN) 2023-05-25 US disclosed
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed
US-20230037883-A1 ALKENE-CONTAINING AMIDE COMPOUND AND APPLICATION THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD (CN) 2023-02-09 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
WO-2023284881-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KRAS G12D INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-01-19 WO disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8637510-B2 Morpholinothiazoles as alpha 7 positive allosteric modulators JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-20120238561-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-09-20 US disclosed
US-20120238561-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-09-20 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-7550459-B2 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (8 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP PLA2G2C 2084/4885HTT 2300/4885ALDH1A1 569/4885
US-20120238561-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS CHRNA7, CHRNE, CHRNA1 PLA2G2C 1189/4885HTT 1165/4885ALDH1A1 3745/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 PLA2G2C 979/4885HTT 1912/4885ALDH1A1 1893/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 PLA2G2C 4313/4885HTT 3881/4885ALDH1A1 164/4885
US-20230157290-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF DDT, ALK, ACMSD PLA2G2C 3849/4885HTT 2735/4885ALDH1A1 33/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PLA2G2C 2106/4885HTT 3059/4885ALDH1A1 580/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PLA2G2C 2084/4885HTT 2300/4885ALDH1A1 569/4885
US-20230037883-A1 ALKENE-CONTAINING AMIDE COMPOUND AND APPLICATION THEREOF DDT, ASPH, ALK PLA2G2C 4252/4885HTT 1771/4885ALDH1A1 146/4885

“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.