SCHEMBL5476583

SCHEMBL5476583

Cc1cccc(C(=O)C(C)(C)C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MYC P01106 1/20 0.44
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40
AKR1B10 O60218 1/20 0.40
TRPA1 O75762 1/20 0.40
ABCB11 O95342 1/20 0.40
DHFR P00374 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL80110 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL29400205 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL5483192 0.81 RXRB (0.39) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28519356 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL14831125 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
Hydrochloric Acid SCHEMBL301551 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
Methane SCHEMBL27599096 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
Hydrochloric Acid SCHEMBL7258725 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL14831124 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL13151930 0.80 L3MBTL1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140072806-A1 POLYMER COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2014-03-13 US disclosed
US-20070293599-A1 Dental Cement Composition UM DENTAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20060241206-A1 Dental adhesive and dental filler UM DENTAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1611875-A1 DENTAL ADHESIVE AND DENTAL FILLER Um Dental Co., Ltd. (JP) 2006-01-04 EP 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-20060241206-A1 Dental adhesive and dental filler ICAM1, CDH1, CAD ALDH1A1 118/4885KDM4E 599/4885HPGD 592/4885
US-20070293599-A1 Dental Cement Composition ASH2L, ARCN1, AP1M1 ALDH1A1 3205/4885KDM4E 533/4885HPGD 4436/4885

“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.