SCHEMBL3764057

SCHEMBL3764057

O=C1OC(=O)[C@H]2CCC[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
PPM1B O75688 1/20 0.39
LMNA P02545 1/20 0.39
PPP1CC P36873 1/20 0.39
TFPI2 P48307 1/20 0.39
RAB9A P51151 1/20 0.39
PPP5C P53041 1/20 0.39
PPP1CA P62136 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL23895076 1.00 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL62433 1.00 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20646727 0.97 KDM4E (0.37) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL10680562 0.94 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL23380386 0.91 KDM4E (0.33) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL19485747 0.91 ALDH1A1 (0.36) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL18700017 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20428057 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3721811 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL2709834 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US disclosed
US-6210956-B1 USED AS CHIRAL PRECURSORS FOR NON-NATURALLY OCCURING AMINO ACIDS AND POLYESTER; CONTACTING A 1,3-CYCLOHEXANEDICARBOXYLIC ACID DIESTER DERIVATIVE WITH A LIPASE CAPABLE OF CONVERTING IT UNDER AQUEOUS CONDITIONS EASTMAN CHEMICAL COMPANY 2001-04-03 US disclosed
US-6028213-A BY CONTACTING WITH A LIPASE UNDER AQUEOUS CONDITIONS TO ENANTIOSELECTIVELY PRODUCE THE ACTIVATOR EASTMAN CHEMICAL COMPANY (US) 2000-02-22 US 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 KDM4E 4749/4885GMNN 2383/4885PPM1B 3488/4885

“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.