SCHEMBL18655396

SCHEMBL18655396

COc1ccc(CN2CC3(CCC4(CC3)OCCO4)C2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 4/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
APLNR P35414 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21587657 0.75 KDM4E (0.53) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL19431069 0.75 APLNR (0.56) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL31263175 0.74 KDM4E (0.52) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL9804694 0.74 KDM4E (0.61) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL2596090 0.73 KDM4E (0.54) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL21587706 0.73 KDM4E (0.64) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL4780301 0.73 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBTSHRAPLNR
SCHEMBL31263231 0.72 KDM4E (0.50) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL9831262 0.71 KDM4E (0.64) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL28191688 0.70 KDM4E (0.63) ALDH1A1KDM4EMAPK1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021061823-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-04-01 WO disclosed
WO-2021061823-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-04-01 WO disclosed
US-10167283-B2 β-lactamase inhibitors and uses thereof SUANZHU PHARMA CO., LTD. (CN) 2019-01-01 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
EP-3281942-A1 B-LACTAMASE INHIBITOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-02-14 EP disclosed
WO-2017167218-A1 ANTIBACTERIAL COMPOSITION AND USE THEREOF 山东轩竹医药科技有限公司 2017-10-05 WO disclosed
WO-2017045510-A1 Β-LACTAMASE INHIBITOR AND APPLICATION THEREOF 山东轩竹医药科技有限公司 2017-03-23 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 (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-10167283-B2 β-lactamase inhibitors and uses thereof MGAM, LCT, ALPI ALDH1A1 269/4885KDM4E 918/4885MAPK1 4340/4885
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, ALPI ALDH1A1 257/4885KDM4E 930/4885MAPK1 4336/4885

“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.