SCHEMBL18242546

SCHEMBL18242546

CC(C)([O])c1cccc(C(Cl)(Cl)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
PGK1 P00558 2/20 0.42
PGK2 P07205 2/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP3A4 P08684 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GAA P10253 1/20 0.33
ACHE P22303 3/20 0.32
CYP1A2 P05177 1/20 0.32
DHODH Q02127 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
KIF11 P52732 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18241944 0.83 PGK1 (0.44) TSHRPGK1PGK2ESR1ESR2
SCHEMBL1847239 0.83 TSHR (0.61) TSHRPGK1PGK2ESR1ESR2
SCHEMBL18244087 0.79 PGK1 (0.41) PGK1PGK2ESR1ESR2HDAC4
SCHEMBL18242446 0.78 PGK1 (0.39) TSHRPGK1PGK2ESR1ESR2
SCHEMBL18242132 0.78 PGK1 (0.40) PGK1PGK2ESR1ESR2HDAC4
Hydrochloric Acid SCHEMBL19409801 0.78 TSHR (0.55) TSHRPGK1PGK2ESR1ESR2
SCHEMBL18243017 0.77 TSHR (0.50) TSHRPGK1PGK2MAPTKMT2A
SCHEMBL7035573 0.77 CYP19A1 (0.42) TSHRKIF11
SCHEMBL18242376 0.75 TSHR (0.46) TSHRESR1ESR2CYP3A4KMT2A
SCHEMBL18242527 0.75 PGK1 (0.37) TSHRPGK1PGK2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TSHR 648/4885PGK1 2952/4885PGK2 2580/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TSHR 648/4885PGK1 2952/4885PGK2 2580/4885

“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.