SCHEMBL9879684

SCHEMBL9879684

CC(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.53
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25774449 0.95 HMGCR (0.49) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL25522844 0.92 HMGCR (0.47) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL16954528 0.86 HMGCR (0.42) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL12786373 0.86 HMGCR (0.42) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL5167911 0.86 GABRA1 (0.56) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL25468603 0.86 HMGCR (0.42) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL22861011 0.86 HMGCR (0.42) HMGCRGABRA1GABRB2TP53TSHR
Phenol SCHEMBL28108806 0.84 GABRA1 (0.44) HMGCRGABRA1GABRB2TSHRRXRA
SCHEMBL25468628 0.82 HMGCR (0.44) HMGCRATM
SCHEMBL16960544 0.82 HMGCR (0.41) HMGCRGABRA1GABRB2TP53TSHR

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
JP-3135929-A None JP disclosed
US-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-13 US disclosed
JP-H03135929-A SIMULTANEOUS PRODUCTION OF 2,5-DICHLOROTOLUENE AND 2,6-DICHLOROTOLUENE KUREHA CHEM IND CO LTD 1991-06-10 JP 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-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS STAT5A, STAT5B, JAK2 HMGCR 4715/4885GABRA1 1956/4885GABRB2 1799/4885

“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.