SCHEMBL21768183

SCHEMBL21768183

CC(C)OC(=O)C(F)(F)I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPN1 P18031 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL826905 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL4306399 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL13174383 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL28885603 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL12128600 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1HCAR2
Ammonia Solution, Strong SCHEMBL28258319 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL4452264 0.75 TSHR (0.42) TSHRMEN1KMT2APTPN1HCAR2
Methylamine SCHEMBL29019095 0.75 TSHR (0.42) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL8024485 0.75 TSHR (0.42) TSHRMEN1KMT2APTPN1HCAR2
SCHEMBL29197990 0.75 TSHR (0.42) TSHRMEN1KMT2APTPN1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024195684-A1 METHOD FOR PRODUCING DIIODIDE, AND COMPOSITION CONTAINING DIIODIDE ダイキン工業株式会社 2024-09-26 WO disclosed
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
US-11084792-B2 Method for producing difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2021-08-10 US disclosed
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
EP-3617197-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP 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-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND HACL2, MGLL, ABL1 TSHR 439/4885MEN1 551/4885KMT2A 2108/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 TSHR 439/4885MEN1 551/4885KMT2A 2108/4885

“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.