SCHEMBL13202844

SCHEMBL13202844

Cc1ccc(C(C)C)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.38
▸ TRPA1 O75762 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ GABRA1 P14867 3/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGS1 P23219 2/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA1 P00915 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
SCHEMBL29723099 0.83 LMNA (0.39) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL1462969 0.83 LMNA (0.39) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612249 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612243 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL2738303 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL1156717 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL15800525 0.79 TSHR (0.39) TSHR
SCHEMBL17517184 0.77 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL159123 0.77 GABRA1 (0.48) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL15553081 0.77 LMNA (0.47) LMNATRPA1SLC6A2HTR2BCHRM1

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-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 — — US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 — — US disclosed
US-8466171-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US disclosed
US-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 — — 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-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 LMNA 3372/4885TRPA1 2880/4885SLC6A2 4843/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 LMNA 3372/4885TRPA1 2880/4885SLC6A2 4843/4885

“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.

Send feedback