SCHEMBL15053396

SCHEMBL15053396

Oc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
ALOX5AP P20292 1/20 0.42
DRD2 P14416 5/20 0.40
DRD1 P21728 5/20 0.40
DRD4 P21917 5/20 0.40
DRD5 P21918 5/20 0.40
DRD3 P35462 5/20 0.40
OPRM1 P35372 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL9284139 0.81 KDM1A (0.44) SIGMAR1
SCHEMBL15003306 0.80 KDM1A (0.49) SIGMAR1DRD2
SCHEMBL13379624 0.76 ESR1 (0.36) SIGMAR1DRD2DRD1DRD4DRD5
SCHEMBL9145947 0.76 RXRA (0.41)
SCHEMBL10590671 0.73 PGR (0.51) SIGMAR1DRD2DRD1DRD4DRD5
SCHEMBL11266819 0.73 SIGMAR1 (0.44) SIGMAR1DRD2DRD3OPRM1
SCHEMBL6711237 0.73 ALDH1A1 (0.46) SIGMAR1OPRM1NR1H2NR1H3
SCHEMBL2777451 0.71 KDM1A (0.41)
SCHEMBL13379635 0.71 ESR1 (0.37) SIGMAR1
SCHEMBL24615634 0.70 AKR1C1 (0.39) SIGMAR1OPRM1

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
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-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
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
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
WO-2013096971-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 WO 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 SIGMAR1 734/4885ALOX5AP 3077/4885DRD2 1300/4885

“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.