SCHEMBL4829554

SCHEMBL4829554

CC(C)(C)c1ccc(Oc2ccccc2-c2cc[c]cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
BRD4 O60885 3/20 0.38
MAOA P21397 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3992772 0.85 AR (0.48) NCOA1NCOA3RAB9APTGS2AR
SCHEMBL6099374 0.83 NCOA1 (0.51) NCOA1NCOA3RAB9ANPC1HPGD
SCHEMBL6098407 0.82 MAPT (0.42) NCOA1NCOA3RAB9ANPC1HPGD
SCHEMBL3990509 0.82 NCOA1 (0.58) NCOA1NCOA3GAAPTGS2AR
SCHEMBL2261897 0.79 NCOA1 (0.39) NCOA1NCOA3RAB9ANPC1PTGS2
SCHEMBL6098538 0.79 NCOA1 (0.47) NCOA1NCOA3PTGS2ARFFAR4
SCHEMBL28263221 0.79 NCOA1 (0.62) NCOA1NCOA3RAB9AGAAPTGS2
SCHEMBL10760113 0.76 ALDH1A1 (0.56) RAB9ANPC1HPGDKDM4EGAA
SCHEMBL1282313 0.76 MAPT (0.61) RAB9ANPC1HPGDKDM4EGAA
SCHEMBL6097840 0.73 NCOA1 (0.42) NCOA1NCOA3ALDH1A1MAPK1MEN1

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 10 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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 NCOA1 4297/4885NCOA3 3634/4885RAB9A 211/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO NCOA1 158/4885NCOA3 135/4885RAB9A 2334/4885

“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.