SCHEMBL4968643

SCHEMBL4968643

CCc1cc(C)c(O)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
PKM P14618 1/20 0.39
SHBG P04278 1/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL30536049 0.84 KDM4E (0.64) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL1023068 0.84 PTGS1 (0.55) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL28778138 0.83 KDM4E (0.56) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL9765068 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNAPTGS2
SCHEMBL11061127 0.77 SKP2 (0.39) GAAALDH1A1MAPTPTGS2RAB9A
SCHEMBL15065245 0.77 PTGS1 (0.46) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL5680788 0.77 TRPA1 (0.48) PTGS1PTGS2ALOX5SHBGRAB9A
SCHEMBL29017105 0.77 HSPA5 (0.35) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL31092543 0.76 SHBG (0.55) GAAPTGS1PTGS2ALOX5SHBG
SCHEMBL1022721 0.76 SHBG (0.55) GAAPTGS1PTGS2ALOX5SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075424-A Polybenzoxazole, polyamide solution, insulating material for high-frequency electronic parts, high-frequency device, insulating material for high-frequency electronic parts production, process for producing polyamide, process for producing polybenzoxazole, process for producing insulating material for high-frequency electronic parts, and diamine or salt thereof 中央硝子株式会社 2023-05-05 CN disclosed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GAA 783/4885ALDH1A1 142/4885MAPT 387/4885

“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.