SCHEMBL22648361

SCHEMBL22648361

CC(C)(C)c1ccc(Cl)c(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.48
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C19 P33261 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC5A1 P13866 2/20 0.41
▸ SLC5A2 P31639 2/20 0.41
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL4066357 0.84 CYP2C19 (0.46) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL11542294 0.82 ESR1 (0.46) CYP2D6CYP2C19ALDH1A1HPGDALOX15
SCHEMBL22275799 0.81 KLF10 (0.53) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL92949 0.80 PDE2A (0.44) KLF10CYP2C19ALDH1A1KCNJ5KCNJ3
SCHEMBL5636034 0.78 KLF10 (0.78) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL10211670 0.78 KLF10 (0.50) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL30124085 0.78 KLF10 (0.78) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL1990099 0.78 KLF10 (0.50) KLF10CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL12749950 0.77 CYP2D6 (0.39) CYP2D6CYP2C19ALDH1A1HPGDALOX15
SCHEMBL16500524 0.76 KLF10 (0.48) KLF10CYP2D6CYP2C19ALDH1A1HPGD

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
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 — — US disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 — — 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 (3 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KLF10 1867/4885CYP2D6 3693/4885CYP2C19 3379/4885
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR KLF10 3870/4885CYP2D6 2018/4885CYP2C19 1922/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR KLF10 3870/4885CYP2D6 2018/4885CYP2C19 1922/4885

“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.

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