SCHEMBL10198680

SCHEMBL10198680

CCCCc1ccc(C(F)(F)F)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
TYR P14679 1/20 0.39
S1PR1 P21453 1/20 0.38
KIF11 P52732 1/20 0.37
PDE2A O00408 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLQ O75417 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 2/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL14850394 0.95 S1PR1 (0.42) DAOTYRS1PR1KIF11PDE2A
SCHEMBL16284397 0.85 TAAR1 (0.41) DAOKIF11PDE2ACYP3A4CYP2D6
SCHEMBL14850100 0.84 TAAR1 (0.40) DAOS1PR1KIF11PDE2ACYP3A4
SCHEMBL28677421 0.82 TYR (0.41) TYRS1PR1CYP3A4CYP2D6MEN1
SCHEMBL19304136 0.79 IDO1 (0.51) DAOTYRPDE2ACYP3A4IDO1
SCHEMBL102128 0.79 CES2 (0.43) DAOKIF11PDE2ACYP3A4CYP2D6
SCHEMBL13349970 0.79 DAO (0.51) DAOPDE2APOLQCES2IDO1
SCHEMBL9797614 0.78 TYR (0.61) TYRPDE2ACYP3A4IDO1MEN1
SCHEMBL21312970 0.78 CYP3A4 (0.40) TYRS1PR1CYP3A4CYP2D6POLQ
SCHEMBL8764873 0.78 L3MBTL1 (0.43) TYRL3MBTL1IDO1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 US disclosed
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 US disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 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 (7 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 DAO 3313/4885TYR 2054/4885S1PR1 543/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 DAO 3313/4885TYR 2054/4885S1PR1 543/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 DAO 3313/4885TYR 2054/4885S1PR1 543/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 DAO 4461/4885TYR 1739/4885S1PR1 407/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 DAO 4461/4885TYR 1739/4885S1PR1 407/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 DAO 2655/4885TYR 33/4885S1PR1 1003/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 DAO 2655/4885TYR 33/4885S1PR1 1003/4885

“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.