SCHEMBL22041291

SCHEMBL22041291

COc1cccc(C2COCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
CYP19A1 P11511 1/20 0.43
DRD2 P14416 1/20 0.43
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD1 P21728 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GID4 Q8IVV7 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL7784267 0.87 HTR2C (0.54) LMNAHTR2CHTR2AHTR2BCYP19A1
SCHEMBL6493903 0.87 HTR2C (0.54) LMNAHTR2CHTR2AHTR2BCYP19A1
SCHEMBL936624 0.87 HTR2C (0.54) LMNAHTR2CHTR2AHTR2BCYP19A1
SCHEMBL27301212 0.86 LMNA (0.48) LMNAHTR2CHTR2AHTR2BCYP19A1
SCHEMBL11800248 0.83 NPC1 (0.42) CYP19A1KDM4EMEN1NPC1KMT2A
SCHEMBL22052737 0.80 CYP1A2 (0.40) LMNAHTR2AHTR2BCYP19A1KDM4E
SCHEMBL4724585 0.80 SLC6A2 (0.44) HTR2CCYP19A1KDM1ANPC1
SCHEMBL4440921 0.79 HTR2C (0.50) LMNAHTR2CHTR2AHTR2BDRD2
SCHEMBL30949069 0.79 HTR2C (0.50) LMNAHTR2CHTR2AHTR2BDRD2
SCHEMBL7815997 0.79 HTR2C (0.41) HTR2CHTR2AHTR2BCYP19A1DRD2

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-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 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 (3 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 LMNA 2078/4885HTR2C 3262/4885HTR2A 3475/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 LMNA 2078/4885HTR2C 3262/4885HTR2A 3475/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 LMNA 2078/4885HTR2C 3262/4885HTR2A 3475/4885

“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.