SCHEMBL8948125

SCHEMBL8948125

CCCCCCC(C)CNC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.45
EPHX1 P07099 1/20 0.44
OPRM1 P35372 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
DNM1 Q05193 2/20 0.39
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL22493178 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL29303870 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL18591106 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL30686660 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL27333651 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL14307876 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL21298785 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL20776359 1.00 ACE2 (0.45) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL13474807 0.98 OPRM1 (0.44) ACE2EPHX1OPRM1ADH1BADH1C
SCHEMBL13443141 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-11026979-B2 Human hepatocytes and uses thereof ACCELERATED BIOSCIENCES CORP. (US) 2021-06-08 US disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
US-20200345788-A1 HUMAN HEPATOCYTES AND USES THEREOF ACCELERATED BIOSCIENCES CORP. 2020-11-05 US disclosed
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
WO-2014037340-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 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 (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-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ACE2 558/4885EPHX1 1684/4885OPRM1 4472/4885

“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.