SCHEMBL4831805

SCHEMBL4831805

CC(C)(C)c1ccc(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.64
▸ APP P05067 1/20 0.64
▸ NR4A2 P43354 1/20 0.57
▸ RXRA P19793 1/20 0.57
▸ RXRB P28702 1/20 0.57
▸ PPARD Q03181 2/20 0.55
▸ PPARA Q07869 2/20 0.55
▸ PPARG P37231 2/20 0.55
▸ ADAMTS4 O75173 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ PTPRC P08575 1/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPRB P23467 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ CDC25A P30304 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ FFAR1 O14842 2/20 0.48
▸ HMOX1 P09601 1/20 0.48

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
SCHEMBL23266730 0.95 MAOB (0.70) MAOBAPPNR4A2RXRARXRB
SCHEMBL1702727 0.92 APP (0.74) MAOBAPPNR4A2RXRARXRB
SCHEMBL22275947 0.86 APP (0.82) MAOBAPPNR4A2RXRARXRB
SCHEMBL13439802 0.85 APP (0.66) MAOBAPPNR4A2RXRARXRB
SCHEMBL8243338 0.85 MAOB (0.66) MAOBAPPNR4A2PPARDPPARA
SCHEMBL13279971 0.83 MAOB (0.73) MAOBAPPPTPRCPTPN2PTPN1
SCHEMBL8241837 0.83 MAOB (0.63) MAOBAPPPPARDPPARAPTPRC
SCHEMBL12732314 0.83 APP (0.63) MAOBAPPNR4A2RXRARXRB
SCHEMBL18161366 0.82 MAOB (0.71) MAOBAPPPPARGPTPRCPTPN2
SCHEMBL18161374 0.82 MAOB (0.66) MAOBAPPPPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO MAOB 243/4885APP 3412/4885NR4A2 1487/4885

“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.

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