SCHEMBL21145768

SCHEMBL21145768

CC1(C)COB(c2ccc(O)cc2)O1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34
F11 P03951 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ESR2 Q92731 2/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ESR1 P03372 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
SCHEMBL29591332 0.90 LPL (0.39) LPLLIPGF11ESR2
SCHEMBL29591345 0.85 LIPG (0.48) LPLLIPGF11
SCHEMBL20114004 0.83 LPL (0.52) LPLLIPGF11ESR2
SCHEMBL28495477 0.81 LPL (0.34) LPLLIPG
SCHEMBL28543193 0.81 LPL (0.34) LPLLIPG
SCHEMBL22606505 0.81 LPL (0.53) LPLLIPG
SCHEMBL19905011 0.81 LPL (0.44) LPLLIPG
SCHEMBL18467899 0.81 LPL (0.44) LPLLIPG
SCHEMBL9935185 0.81 SNCA (0.40) LPLLIPGF11ESR2ESR1
SCHEMBL7906012 0.80 TP53 (0.39) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023280295-A1 A CLASS OF BENZO SEVEN-MEMBERED-RING COMPOUNDS AND USE THEREOF 勤浩医药(苏州)有限公司 2023-01-12 WO disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C LPL 3153/4885LIPG 4615/4885F11 3283/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C LPL 3153/4885LIPG 4615/4885F11 3283/4885

“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.