SCHEMBL6232759

SCHEMBL6232759

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP2C9 P11712 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL1401093 0.86 BRD4 (0.50) RXRARXRBCA12CA1CA2
SCHEMBL29909826 0.86 BRD4 (0.50) RXRARXRBCA12CA1CA2
SCHEMBL6366961 0.86 MAPT (0.36) RXRARXRBALDH1A1CYP2C9NR4A1
SCHEMBL15140038 0.85 F2 (0.35) RXRARXRBCA12CA1CA2
SCHEMBL22670469 0.82 BRD4 (0.35) HSD17B10ALDH1A1TSHRTDP1CYP2C9
SCHEMBL6112354 0.82 ALDH1A1 (0.41) RXRARXRBALDH1A1TSHRTDP1
SCHEMBL28702481 0.82 BRD4 (0.35) HSD17B10ALDH1A1TSHRTDP1CYP2C9
SCHEMBL21247991 0.82 CRHBP (0.38) HSD17B10ALDH1A1TSHRTDP1NPC1
SCHEMBL8736767 0.81 MEN1 (0.43) HSD17B10ALDH1A1TSHRTDP1CYP2C9
SCHEMBL22670302 0.81 CYP3A4 (0.42) ALDH1A1CYP2C9NPC1RAB9AKMT2A

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
US-9250525-B2 Resist underlayer film-forming composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-02 US disclosed
US-20150362838-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL IND LTD (JP) 2015-12-17 US disclosed
US-9212255-B2 Resist underlayer film-forming composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
US-20150087155-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-26 US disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 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 (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-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 RXRA 843/4885RXRB 1220/4885CA12 148/4885

“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.