SCHEMBL19089919

SCHEMBL19089919

CC(OCc1ccccc1)[C@H](C)I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
AGXT P21549 1/20 0.40
TACR1 P25103 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 2/20 0.39

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
SCHEMBL25450869 1.00 RCE1 (0.46) RCE1TSHRHTTMMP9MMP8
SCHEMBL20463639 0.83 RCE1 (0.49) RCE1TSHRHTTMMP9MMP8
SCHEMBL15039477 0.83 TSHR (0.48) RCE1TSHRHTTIDO1SLC1A3
SCHEMBL5018878 0.83 RCE1 (0.49) RCE1TSHRHTTMMP9MMP8
SCHEMBL5812823 0.83 TSHR (0.48) RCE1TSHRHTTIDO1SLC1A3
SCHEMBL23605527 0.82 RCE1 (0.43) RCE1TSHRHTTMMP9MMP8
SCHEMBL18661849 0.81 RCE1 (0.51) RCE1TSHRHTTMMP9MMP8
SCHEMBL29913755 0.81 RCE1 (0.51) RCE1TSHRHTTMMP9MMP8
SCHEMBL19481444 0.81 RCE1 (0.47) RCE1TSHRHTTMMP9MMP8
SCHEMBL22995900 0.79 CYP2D6 (0.50) RCE1TSHRHTTMMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy FIVE ELEVEN PHARMA INC. (US) 2020-06-23 US disclosed
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 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 (2 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R RCE1 3404/4885TSHR 3072/4885HTT 4720/4885
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy KLK3, FOLH1, UTS2R RCE1 3404/4885TSHR 3072/4885HTT 4720/4885

“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.