SCHEMBL9934549

SCHEMBL9934549

CCc1cc(CC)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
POLB P06746 1/20 0.39
HTR1D P28221 2/20 0.38
TRPA1 O75762 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
HMGCR P04035 1/20 0.36
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.35
HTR1B P28222 1/20 0.34
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL3262493 0.94 GABRA1 (0.48) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL30468716 0.93 HSPA5 (0.42) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL14228428 0.89 HSPA5 (0.40) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL13564521 0.89 HTR1D (0.41) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL24239905 0.89 HSPA5 (0.36) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL18643576 0.85 TACR1 (0.44) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL28088911 0.85 RXRB (0.46) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL20751761 0.84 POLB (0.41) HSPA5GABRA1GABRB2POLBHTR1D
SCHEMBL15077168 0.84 IDO1 (0.45) HSPA5GABRA1GABRB2HMGCRLMNA
SCHEMBL10233692 0.84 HSPA5 (0.36) HSPA5GABRA1GABRB2POLBHTR1D

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
CN-112209793-B Friedel-crafts alkylation reaction product and continuous synthesis method thereof 广东石油化工学院 2022-04-08 CN disclosed
CN-112209793-A Friedel-crafts alkylation reaction product and continuous synthesis method thereof 广东石油化工学院 2021-01-12 CN disclosed
US-20120157716-A1 Methods for Preparing Diaryl Disulfides UBE INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157716-A1 Methods for Preparing Diaryl Disulfides TST, P4HB, CBS HSPA5 990/4885GABRA1 2022/4885GABRB2 1470/4885

“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.