SCHEMBL9344176

SCHEMBL9344176

CC(C)c1ccc(-c2ccc(CO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
KIF11 P52732 2/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
FFAR1 O14842 1/20 0.42
PTPN5 P54829 2/20 0.42
ADAMTS4 O75173 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
PYCR1 P32322 1/20 0.39
HTT P42858 1/20 0.39
TYR P14679 1/20 0.39
UCHL3 P15374 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.39

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
SCHEMBL113930 0.93 IDO1 (0.52) IDO1RAB9ASMN1; SMN2NPC1NPBWR1
Alcohol SCHEMBL5309262 0.88 IDO1 (0.48) IDO1RAB9ASMN1; SMN2NPC1NPBWR1
SCHEMBL5272879 0.84 PTPN5 (0.41) IDO1KIF11FFAR1PTPN5RAB9A
SCHEMBL30844144 0.83 IDO1 (0.44) IDO1RAB9ASMN1; SMN2KDM4ENPC1
Acetic Acid SCHEMBL29144999 0.83 RXRA (0.47) IDO1RAB9ASMN1; SMN2KDM4ENPC1
Benzyl Alcohol SCHEMBL28599336 0.82 TSHR (0.64) IDO1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL13524585 0.81 RXRA (0.58) KIF11MKNK1MKNK2PTPN5ADAMTS4
Hydrogen Peroxide SCHEMBL9643171 0.80 KIF11 (0.54) KIF11FFAR1PTPN5RAB9ASMN1; SMN2
Hydrogen Peroxide SCHEMBL9176615 0.80 KIF11 (0.54) KIF11FFAR1PTPN5RAB9ASMN1; SMN2
SCHEMBL679970 0.80 MKNK1 (0.56) KIF11MKNK1MKNK2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
WO-2018022952-A1 NADIC ANHYDRIDE POLYMERS AND PHOTOSENSITIVE COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-02-01 WO disclosed
WO-2017117483-A1 POLYMERS DERIVED FROM NORBORNADIENE AND MALEIC ANHYDRIDE AND USE THEREOF PROMERUS, LLC (US) 2017-07-06 WO disclosed
WO-2017095829-A2 PERMANENT DIELECTRIC COMPOSITIONS CONTAINING PHOTOACID GENERATOR AND BASE PROMERUS, LLC (US) 2017-06-08 WO disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-5338887-A Process for the preparation of dihydroperoxyalkyl polyphenyls and dihydroxy polyphenyls THE DOW CHEMICAL COMPANY (US) 1994-08-16 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA IDO1 2669/4885KIF11 3208/4885MKNK1 713/4885

“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.