SCHEMBL16263342

SCHEMBL16263342

C=CCC1(F)CCc2ccccc2/C1=N/C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SRD5A1 P18405 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MITF O75030 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 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
SCHEMBL16263337 0.78 SRD5A1 (0.36) HTTTDP1SRD5A1SRD5A2ALDH1A1
SCHEMBL20192211 0.76 HTT (0.43) HTTTDP1ALDH1A1MEN1KMT2A
SCHEMBL16263343 0.76 HTT (0.43) HTTTDP1ALDH1A1MEN1KMT2A
SCHEMBL15079018 0.72 HTT (0.38) HTTTDP1ALDH1A1POLBRAB9A
SCHEMBL16263338 0.71 TDP1 (0.37) HTTTDP1SRD5A1SRD5A2ALDH1A1
SCHEMBL16263348 0.67 MEN1 (0.39) HTTTDP1ALDH1A1MEN1KMT2A
SCHEMBL16263339 0.66 BACE1 (0.41) RAB9A
SCHEMBL18104012 0.65 KMT2A (0.36) ALDH1A1MEN1POLBKMT2ARAB9A
SCHEMBL15079061 0.64 CYP46A1 (0.36) HTTMEN1POLBKMT2ARAB9A
SCHEMBL16263344 0.64 CYP46A1 (0.36) HTTMEN1POLBKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 — — US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 — — US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 — — 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 (1 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-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST GFPT1, NUDT1, INF2 HTT 1333/4885TDP1 2260/4885SRD5A1 1721/4885

“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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