SCHEMBL4069733

SCHEMBL4069733

O=C1C[C@@H]2[C@H](C1)[C@@H]2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 3/20 0.36
APEX1 P27695 1/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
TFPI2 P48307 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 3/20 0.35
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
GRM2 Q14416 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL16756317 1.00 POLB (0.39) POLBKDM4EL3MBTL1TDP1LMNA
SCHEMBL3464997 1.00 POLB (0.39) POLBKDM4EL3MBTL1TDP1LMNA
SCHEMBL4990256 0.76 POLB (0.37) POLBKDM4EL3MBTL1TDP1LMNA
SCHEMBL2040240 0.76 POLB (0.41) POLBKDM4EL3MBTL1TDP1LMNA
SCHEMBL2716650 0.76 POLB (0.45) POLBKDM4EL3MBTL1TDP1LMNA
SCHEMBL301495 0.73
SCHEMBL2371479 0.73 GABRR1 (0.48) POLBTDP1LMNATSHRALDH1A1
SCHEMBL19526286 0.73 GABRR1 (0.48) POLBTDP1LMNATSHRALDH1A1
SCHEMBL2370535 0.73 GABRR1 (0.48) POLBTDP1LMNATSHRALDH1A1
SCHEMBL9112735 0.73 GABRR1 (0.48) POLBTDP1LMNATSHRALDH1A1

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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 EP disclosed
EP-3080120-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-06-19 EP disclosed
US-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BY) 2018-06-26 US disclosed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-20170128445-A1 Fused Imidazole and Pyrazole Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2017-05-11 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 EP disclosed
EP-1948654-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2008-07-30 EP disclosed
WO-2007031558-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 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 (4 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA POLB 1905/4885KDM4E 3916/4885L3MBTL1 1618/4885
US-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity TNF, TNFRSF1A, TNFRSF9 POLB 3161/4885KDM4E 4258/4885L3MBTL1 3102/4885
US-20170128445-A1 Fused Imidazole and Pyrazole Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 POLB 3193/4885KDM4E 4284/4885L3MBTL1 3065/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 POLB 249/4885KDM4E 334/4885L3MBTL1 1575/4885

“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.