SCHEMBL4572747

SCHEMBL4572747

CC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(-c2cc(C(C)(C)C)c(-c3ccccc3)c(C(C)(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 2/20 0.37
PTPN5 P54829 1/20 0.36
DHODH Q02127 1/20 0.35
CYP2C9 P11712 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL27908556 0.92 CA2 (0.44) CA2RXRARXRBALDH1A1TSHR
SCHEMBL4309659 0.85 RXRB (0.50) CA2CA1RXRARXRBTSHR
SCHEMBL1537452 0.85 RXRB (0.50) CA2CA1RXRARXRBTSHR
SCHEMBL1532680 0.85 RXRB (0.50) CA2CA1RXRARXRBTSHR
SCHEMBL76093 0.85 RXRB (0.50) CA2CA1RXRARXRBTSHR
SCHEMBL27926529 0.84 CA2 (0.41) CA2RXRARXRBALDH1A1TSHR
SCHEMBL15853182 0.79 AKR1C2 (0.39) CA2CA1ALDH1A1TSHRTDP1
SCHEMBL27727024 0.78 HSPA5 (0.42) RXRARXRBCYP1A2TAAR1MEN1
SCHEMBL11331789 0.78 TSHR (0.44) RXRARXRBALDH1A1TSHRTDP1
SCHEMBL2291021 0.77 CA2 (0.48) CA2CA1ALDH1A1TSHRTDP1

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-20080303019-A1 Side Chain-Containing Type Organic Silane Compound, Thin Film Transistor and Method of Producing Thereof SHARP KABUSHIKI KAISHA (JP) 2008-12-11 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-20080303019-A1 Side Chain-Containing Type Organic Silane Compound, Thin Film Transistor and Method of Producing Thereof CBX3, SOS1, AOX1 CA2 1720/4885CA1 283/4885RXRA 498/4885

“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.