SCHEMBL22708264

SCHEMBL22708264

CC(=O)O[C@H]1O[C@]2(C[C@@H](OCc3ccccc3)C2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
METAP2 P50579 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CAPN1 P07384 1/20 0.37
EPHX2 P34913 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
GSTP1 P09211 2/20 0.35
ABCB1 P08183 2/20 0.35
BCHE P06276 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL22707664 1.00 LMNA (0.39) LMNAMETAP2ALDH1A1CAPN1EPHX2
SCHEMBL22708096 0.88 ABCB1 (0.39) METAP2ALDH1A1EPHX2TSHRKMT2A
SCHEMBL16575274 0.81 LMNA (0.40) LMNAMETAP2ALDH1A1CAPN1CYP2C9
SCHEMBL10158830 0.81 LMNA (0.40) LMNAMETAP2ALDH1A1CAPN1CYP2C9
SCHEMBL13976546 0.80 ALDH1A1 (0.41) LMNAMETAP2ALDH1A1CAPN1TSHR
SCHEMBL15935496 0.80 ALDH1A1 (0.41) LMNAMETAP2ALDH1A1CAPN1TSHR
SCHEMBL14946301 0.80 ALDH1A1 (0.41) LMNAMETAP2ALDH1A1CAPN1TSHR
SCHEMBL9961266 0.80 ALDH1A1 (0.41) LMNAMETAP2ALDH1A1CAPN1TSHR
SCHEMBL20960060 0.79 ALDH1A1 (0.43) LMNAMETAP2ALDH1A1CAPN1TSHR
SCHEMBL24672951 0.79 BCHE (0.43) METAP2ALDH1A1EPHX2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303612-A1 Novel Spirobicyclic Analogues JANSSEN PHARMACEUTICA NV (BE) 2023-09-28 US disclosed
US-11702441-B2 Spirobicyclic analogues JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 US disclosed
US-20210380627-A1 Novel Spirobicyclic Analogues JANSSEN PHARMACEUTICA NV (BE) 2021-12-09 US disclosed
US-11059850-B2 Spirobicyclic analogues JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US disclosed
US-20200369707-A1 NOVEL SPIROBICYCLIC ANALOGUES VRIJE UNIVERSITEIT BRUSSEL (BE) 2020-11-26 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 (6 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-20200369707-A1 NOVEL SPIROBICYCLIC ANALOGUES PRMT5, SIRT5, HDAC5 LMNA 1300/4885METAP2 3331/4885ALDH1A1 1379/4885
US-20210380627-A1 Novel Spirobicyclic Analogues PRMT5, SIRT5, HDAC5 LMNA 1300/4885METAP2 3331/4885ALDH1A1 1379/4885
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 LMNA 742/4885METAP2 2682/4885ALDH1A1 248/4885
US-20230303612-A1 Novel Spirobicyclic Analogues PRMT5, SIRT5, HDAC5 LMNA 1300/4885METAP2 3331/4885ALDH1A1 1379/4885
US-11059850-B2 Spirobicyclic analogues PRMT5, HDAC5, SIRT5 LMNA 961/4885METAP2 3510/4885ALDH1A1 1492/4885
US-11702441-B2 Spirobicyclic analogues PRMT5, HDAC5, SIRT5 LMNA 961/4885METAP2 3510/4885ALDH1A1 1492/4885

“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.