SCHEMBL17993796

SCHEMBL17993796

CCCCOC(=O)C(F)(F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CYP3A4 P08684 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ LMNA P02545 5/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ SCN1A P35498 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CHRM2 P08172 3/20 0.46

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
SCHEMBL8168380 0.83 KCNN4 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28558105 0.83 TSHR (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14140686 0.83 MAPK1 (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1172441 0.83 PIN1 (0.53) TSHRMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL16732083 0.82 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2418304 0.82 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL10029779 0.82 CHRM2 (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5161453 0.82 MEN1 (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2420565 0.82 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14258113 0.82 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053875-B1 FLUORINATING AGENT DAIKIN IND LTD (JP) 2022-09-28 — — EP disclosed
US-10479681-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-11-19 — — US disclosed
US-20190152779-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2019-05-23 — — US disclosed
US-10233080-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-03-19 — — US disclosed
US-20160332877-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2016-11-17 — — US disclosed
US-20160332877-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2016-11-17 — — US disclosed
EP-3053875-A1 FLUORINATING AGENT Daikin Industries, Ltd. (JP) 2016-08-10 — — 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 (4 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-10479681-B2 Fluorinating agent AFF2, AFF4, AFF1 TSHR 1034/4885TDP1 2068/4885L3MBTL1 3278/4885
US-20160332877-A1 FLUORINATING AGENT AFF2, AFF4, AFF1 TSHR 1034/4885TDP1 2068/4885L3MBTL1 3278/4885
US-10233080-B2 Fluorinating agent AFF2, AFF4, AFF1 TSHR 1034/4885TDP1 2068/4885L3MBTL1 3278/4885
US-20190152779-A1 FLUORINATING AGENT AFF2, AFF4, AFF1 TSHR 1034/4885TDP1 2068/4885L3MBTL1 3278/4885

“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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