SCHEMBL13466014

SCHEMBL13466014

CCC(C)c1cc(Cl)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACLY P53396 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL31491205 0.86 GABRA1 (0.41) RORCCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL23627166 0.84 RAPGEF4 (0.37)
SCHEMBL16770635 0.84 RAPGEF4 (0.37)
SCHEMBL9178609 0.82 ALDH1A1 (0.39) CYP2C9TSHRMEN1KMT2ANPSR1
SCHEMBL10289777 0.82 TSHR (0.40) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL7644300 0.82 TSHR (0.40) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL17071843 0.82 TSHR (0.40) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL9609574 0.80 GABRA1 (0.35) CYP1A2CYP2C9ACLYGAAGABRA1
SCHEMBL22861022 0.78 TACR1 (0.38) RORCCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL25468602 0.78 USP2 (0.36) RORCCYP1A2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 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-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B RORC 422/4885CYP1A2 3369/4885CYP3A4 3263/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 RORC 208/4885CYP1A2 747/4885CYP3A4 948/4885

“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.