SCHEMBL16263337

SCHEMBL16263337

CC1(F)CCc2ccccc2/C1=N/C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL15079018 0.86 HTT (0.38) TDP1HTTALDH1A1GAALMNA
SCHEMBL16263342 0.78 HTT (0.32) SRD5A1SRD5A2TDP1HTTALDH1A1
SCHEMBL16263338 0.74 TDP1 (0.37) SRD5A1SRD5A2TDP1HTTALDH1A1
SCHEMBL20192211 0.71 HTT (0.43) TDP1HTTALDH1A1GAALMNA
SCHEMBL16263343 0.71 HTT (0.43) TDP1HTTALDH1A1GAALMNA
SCHEMBL6448738 0.70 SIGMAR1 (0.54) SRD5A1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL16263349 0.67 SRD5A1 (0.38) SRD5A1SRD5A2TDP1HTTALDH1A1
SCHEMBL8525737 0.65 HPGD (0.44) HTR2AHTR2CHTR2BSIGMAR1ALDH1A1
SCHEMBL8525738 0.65 HPGD (0.44) HTR2AHTR2CHTR2BSIGMAR1ALDH1A1
SCHEMBL15079060 0.65 HTT (0.40) SRD5A1SRD5A2TDP1HTTALDH1A1

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 SRD5A1 1721/4885SRD5A2 1360/4885TDP1 2260/4885

“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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