SCHEMBL24075680

SCHEMBL24075680

COC[C@@H](CCCOc1ccc(Cl)c(Cl)c1CO)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.44
SYK P43405 1/20 0.41
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
CTSK P43235 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NLRP1 Q9C000 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL24075608 0.85 AAK1 (0.43) AAK1SYKTRPA1ATMLMNA
SCHEMBL31028286 0.84 P2RY2 (0.44) AAK1ATMCTSKHPGDKDM4E
SCHEMBL28821334 0.84 ITGB3 (0.43) AAK1CTSKITGB3ITGA2B
SCHEMBL31028291 0.80 AAK1 (0.43) AAK1SYKTRPA1ATMSMN1; SMN2
SCHEMBL31028283 0.80 AAK1 (0.43) AAK1SYKTRPA1ATMSMN1; SMN2
SCHEMBL31028296 0.79 AAK1 (0.47) AAK1SYKLMNASMN1; SMN2KDM4E
SCHEMBL24075373 0.78 LTA4H (0.36) LMNASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL31028273 0.76 LMNA (0.36) AAK1SYKLMNASMN1; SMN2
SCHEMBL24074705 0.74 MAPT (0.40) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL24075383 0.73 TDP1 (0.45) SYKATMCTSKGAA

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
US-12371434-B2 MLL1 inhibitors and anti-cancer agents CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2025-07-29 US disclosed
EP-4013754-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-07-24 EP disclosed
WO-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 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 (1 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-12371434-B2 MLL1 inhibitors and anti-cancer agents MLLT1, BMI1, DOT1L AAK1 1076/4885SYK 2571/4885TRPA1 4858/4885

“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.