SCHEMBL21028107

SCHEMBL21028107

CC(C)c1ccc(C(C)(C)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRA1 P14867 3/20 0.38
GABRB2 P47870 2/20 0.38
SLC22A12 Q96S37 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2B P41595 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL547654 0.83 MEN1 (0.41) CYP3A4ALDH1A1CYP2C19LMNACA2
SCHEMBL22454811 0.83 ALDH1A1 (0.35) CYP3A4ALDH1A1CYP2C19ACE2MEN1
SCHEMBL17298377 0.80 KCNJ11 (0.50) ALDH1A1LMNAHPGDMEN1MAPT
SCHEMBL24910099 0.78 P2RX7 (0.37) GABRA1GABRB2KCNJ11TRPA1
SCHEMBL8781825 0.78 GABRA1 (0.48) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL30876294 0.78 GABRA1 (0.48) CYP3A4GABRA1GABRB2GABRG2GABRB3
SCHEMBL16849211 0.78 HSD11B1 (0.33) CYP3A4ALDH1A1CYP2C19GABRA1GABRB2
SCHEMBL3369244 0.75 CYP3A4 (0.61) CYP3A4ALDH1A1CYP2C19GABRA1GABRB2
SCHEMBL548252 0.74 CA2 (0.46) CYP3A4ALDH1A1CYP2C19GABRA1GABRB2
SCHEMBL16852471 0.74 CYP1A2 (0.56) CYP3A4ALDH1A1CYP2C19GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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 (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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC CYP3A4 836/4885ALDH1A1 671/4885CYP2C19 1666/4885

“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.