SCHEMBL18784574

SCHEMBL18784574

C[n+]1c(C(F)(F)F)n(Cc2ccccc2)c2ccccc21.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE6D O43924 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CFTR P13569 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ RGS12 O14924 2/20 0.37
▸ APOBEC3A P31941 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ TP53 P04637 2/20 0.36

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
Hydrochloric Acid SCHEMBL18784392 0.94 CYP19A1 (0.41) TNFCYP19A1ALDH1A1PDE6DALDH2
Fluoride Ion SCHEMBL18784585 0.94 CYP19A1 (0.41) TNFCYP19A1ALDH1A1PDE6DALDH2
Bromide SCHEMBL18784481 0.94 SMN1; SMN2 (0.41) TNFCYP19A1ALDH1A1PDE6DALDH2
Iodide SCHEMBL18784414 0.94 CYP19A1 (0.41) TNFCYP19A1ALDH1A1PDE6DALDH2
SCHEMBL18784580 0.87 LMNA (0.44) TNFCYP19A1ALDH1A1SMN1; SMN2LMNA
Trifluoromethanesulfonic Acid SCHEMBL18784403 0.86 LMNA (0.43) TNFCYP19A1LMNACFTRACHE
SCHEMBL18784533 0.84 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL18784615 0.84 LMNA (0.55) TNFALDH1A1SMN1; SMN2LMNAMEN1
Fluoride Ion SCHEMBL18784475 0.78 PTPN1 (0.38) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
Iodide SCHEMBL18784513 0.78 PTPN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 TNF 4860/4885CYP19A1 1337/4885ALDH1A1 2072/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 TNF 4860/4885CYP19A1 1337/4885ALDH1A1 2072/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TNF 4860/4885CYP19A1 1337/4885ALDH1A1 2072/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 TNF 4860/4885CYP19A1 1337/4885ALDH1A1 2072/4885

“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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