SCHEMBL21768239

SCHEMBL21768239

Cc1ccc(I)cc1CCl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.36
SLC6A4 P31645 5/20 0.33
TAAR1 Q96RJ0 1/20 0.33
IDO1 P14902 1/20 0.33
SLC6A2 P23975 3/20 0.33
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL30831856 1.00 PON1 (0.36) PON1SLC6A4TAAR1IDO1SLC6A2
SCHEMBL9984918 0.82 SLC6A4 (0.44) SLC6A4TAAR1SLC6A2KMT2A
SCHEMBL21768186 0.82 IDO1 (0.37) PON1SLC6A4IDO1SLC6A2KMT2A
SCHEMBL15121002 0.79 KIF11 (0.36) SLC6A4TAAR1
SCHEMBL27804944 0.79 TAAR1 (0.34) SLC6A4TAAR1IDO1SLC6A2
SCHEMBL15654574 0.78 IDO1 (0.41) SLC6A4IDO1SLC6A2
SCHEMBL26586486 0.77 TAAR1 (0.33) SLC6A4TAAR1
SCHEMBL14497651 0.77 TAAR1 (0.33) SLC6A4TAAR1IDO1
SCHEMBL8194043 0.76 IDO1 (0.35) IDO1
SCHEMBL1030033 0.76 TAAR1 (0.56) PON1TAAR1KMT2ANPSR1KDM4E

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
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 PON1 734/4885SLC6A4 4477/4885TAAR1 220/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 PON1 734/4885SLC6A4 4477/4885TAAR1 220/4885

“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.