SCHEMBL10554281

SCHEMBL10554281

O=C1OC(O)(C(F)(F)F)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.53
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46
TYMS P04818 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
GAA P10253 1/20 0.42

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
SCHEMBL31202620 1.00 PDK2 (0.53) PDK2CFTRGOPCALDH1A1MEN1
SCHEMBL10550632 0.83 PDK2 (0.41) PDK2CFTRGOPCALDH1A1MEN1
SCHEMBL11241768 0.83 CFTR (0.46) PDK2CFTRGOPCALDH1A1MEN1
SCHEMBL11833065 0.83 CFTR (0.46) CFTRGOPCALDH1A1MEN1LMNA
SCHEMBL24517455 0.80 PDK2 (0.53) PDK2ALDH1A1MAPTAKR1C1HSP90AA1
SCHEMBL29618364 0.80 PDK2 (0.53) PDK2ALDH1A1MAPTAKR1C1HSP90AA1
SCHEMBL29618362 0.80 PDK2 (0.53) PDK2ALDH1A1MAPTAKR1C1HSP90AA1
SCHEMBL28758440 0.78 PDK2 (0.46) PDK2TDP1
Acetic Acid SCHEMBL9529245 0.78 CFTR (0.45) PDK2CFTRGOPCALDH1A1MEN1
SCHEMBL11832018 0.76 CFTR (0.40) CFTRGOPCALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137900-A Method for selectively removing undifferentiated pluripotent stem cells 佛教慈济医疗财团法人 2025-06-13 CN claimed
US-20250188411-A1 METHOD FOR SELECTIVE REMOVAL OF UNDIFFERENTIATED PLURIPOTENT STEM CELLS BUDDHIST TZU CHI MEDICAL FOUNDATION (TW) 2025-06-12 US claimed
EP-4570901-A1 METHOD FOR SELECTIVE REMOVAL OF UNDIFFERENTIATED PLURIPOTENT STEM CELLS Buddhist Tzu Chi Medical Foundation (TW) 2025-06-18 EP disclosed
CN-120137900-A Method for selectively removing undifferentiated pluripotent stem cells 佛教慈济医疗财团法人 2025-06-13 CN disclosed
US-20250188411-A1 METHOD FOR SELECTIVE REMOVAL OF UNDIFFERENTIATED PLURIPOTENT STEM CELLS BUDDHIST TZU CHI MEDICAL FOUNDATION (TW) 2025-06-12 US disclosed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US disclosed
EP-4452265-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2024-10-30 EP disclosed
WO-2023118507-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2023-06-29 WO disclosed
US-20150056702-A1 METHOD AND KIT FOR CULTURING STEM CELLS UNIV CHINA MEDICAL (TW) 2015-02-26 US disclosed
US-20140212970-A1 METHOD AND KIT FOR CULTURING STEM CELLS CHINA MEDICAL UNIVERSITY (TW) 2014-07-31 US disclosed
US-4855460-A ZINC OR CADMIUM CATALYST RHONE-POULENC CHIMIE (FR) 1989-08-08 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-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 PDK2 1463/4885CFTR 3061/4885GOPC 3157/4885

“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.