SCHEMBL23149786

SCHEMBL23149786

O=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1C2(c1ccccc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.40
PDK2 Q15119 5/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
MYC P01106 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35

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
SCHEMBL1099586 0.88 PDK2 (0.38) ALDH1A1ALOX15PDK2NOTUMHSD17B10
SCHEMBL30537674 0.88 PDK2 (0.38) ALDH1A1ALOX15PDK2NOTUMKDM4E
SCHEMBL28723246 0.88 PDK2 (0.38) ALDH1A1ALOX15PDK2NOTUMKDM4E
SCHEMBL9221863 0.86 PDK2 (0.37) ALDH1A1ALOX15PDK2NOTUMHSD17B10
SCHEMBL9220858 0.85 PDK2 (0.36) ALDH1A1ALOX15PDK2NOTUMHSD17B10
SCHEMBL9455620 0.80 PDK2 (0.33) PDK2NOTUMHSD17B10CDC25ACDC25B
SCHEMBL9455626 0.79 CA12 (0.37) PDK2CA12CA1CA4CA6
SCHEMBL23149793 0.76 PDK2 (0.36) ALDH1A1PDK2KDM4EMAPTMAOB
SCHEMBL9220689 0.76 ALOX5 (0.35) ALDH1A1ALOX15PDK2NOTUMHSD17B10
SCHEMBL9215677 0.74 KMT2A (0.34) ALDH1A1ALOX15PDK2NOTUMHSD17B10

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-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US claimed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 US claimed
US-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US disclosed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 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 (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-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof CA3, MLLT3, TET3 ALDH1A1 357/4885ALOX15 2203/4885PDK2 3508/4885
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF CA3, MLLT3, TET3 ALDH1A1 357/4885ALOX15 2203/4885PDK2 3508/4885

“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.