SCHEMBL21145864

SCHEMBL21145864

Cc1cc(Cl)c(C(C)C)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CD44 P16070 1/20 0.32
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL14558056 0.90 LMNA (0.54) LMNAGABRA1GABRB1TP53HTT
SCHEMBL13963581 0.87 LMNA (0.50) LMNAGABRA1GABRB1TP53HTT
SCHEMBL26813445 0.87 LMNA (0.56) LMNAGABRA1GABRB1TP53HTT
SCHEMBL14044066 0.87 LMNA (0.47) LMNAGABRA1GABRB1TP53HTT
SCHEMBL12297358 0.85 LMNA (0.59) LMNAGABRA1GABRB1TP53HTT
SCHEMBL10345489 0.85 LMNA (0.65) LMNAGABRA1GABRB1TP53HTT
SCHEMBL9774801 0.84 GABRA1 (0.46) LMNAGABRA1GABRB1TP53HTT
SCHEMBL11862411 0.81 LMNA (0.52) LMNAGABRA1GABRB1TP53HTT
SCHEMBL16940688 0.80 LMNA (0.59) LMNAGABRA1GABRB1TP53HTT
SCHEMBL12091749 0.80 LMNA (0.65) LMNAGABRA1GABRB1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230279158-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2023-09-07 US disclosed
US-20230279158-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2023-09-07 US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20220017645-A1 CHARGE-BEARING CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME AVENUE GLOBAL DISLOCATION OPPORTUNITIES FUND, L.P. AND AVENUE GLOBAL OPPORTUNITIES MASTER FUND, L.P. 2022-01-20 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 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 (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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP LMNA 2483/4885GABRA1 784/4885GABRB1 261/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 LMNA 4186/4885GABRA1 2080/4885GABRB1 2292/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP LMNA 2483/4885GABRA1 784/4885GABRB1 261/4885

“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.