SCHEMBL22216993

SCHEMBL22216993

CC(C)C(C)c1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
HTT P42858 1/20 0.46
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL2607319 0.85 LMNA (0.53) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL7231935 0.82 LMNA (0.50) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL28462007 0.82 CYP3A4 (0.55) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL30098521 0.82 KDM4E (0.55) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL30239333 0.82 CYP3A4 (0.55) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL24493538 0.82 LMNA (0.50) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL1830567 0.82 KDM4E (0.55) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL11270909 0.82 CYP3A4 (0.55) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL23386422 0.79 LMNA (0.47) LMNACYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL23095503 0.79 LMNA (0.47) LMNACYP3A4CYP2D6KDM4ECYP1A2

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-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-07-16 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-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 LMNA 2214/4885CYP3A4 3288/4885CYP2D6 3515/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 LMNA 3018/4885CYP3A4 3432/4885CYP2D6 3373/4885
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 LMNA 2549/4885CYP3A4 3464/4885CYP2D6 3965/4885

“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.