SCHEMBL2077348

SCHEMBL2077348

C=CCN1C(=O)C2CC=CC(C)C2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.34
CYP19A1 P11511 1/20 0.34
HCRTR1 O43613 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PABPC1 P11940 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
SCHEMBL2077889 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL2077395 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL2075030 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCYP19A1USP2
SCHEMBL2077661 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL16906250 0.81 KMT2A (0.50) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2076095 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTCYP19A1
SCHEMBL2076065 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL2077429 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL729399 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1HTTLMNA
SCHEMBL3956791 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
EP-2028183-B1 NOVEL EPOXY COMPOUND AND METHOD FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2014-03-26 EP disclosed
US-7863461-B2 Epoxy compounds and method for production of the same SHOWA DENKO K.K. (JP) 2011-01-04 US disclosed
US-20090253915-A1 NOVEL EPOXY COMPOUNDS AND METHOD FOR PRODUCTION OF THE SAME SHOWA DENKO K.K. (JP) 2009-10-08 US disclosed
EP-2028183-A1 NOVEL EPOXY COMPOUND AND METHOD FOR PRODUCING THE SAME Showa Denko K.K. (JP) 2009-02-25 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-20090253915-A1 NOVEL EPOXY COMPOUNDS AND METHOD FOR PRODUCTION OF THE SAME PTGIS, PTGES, CYP2E1 ALDH1A1 607/4885KMT2A 3844/4885MEN1 1254/4885
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH ALDH1A1 412/4885KMT2A 1063/4885MEN1 4005/4885

“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.