SCHEMBL21465293

SCHEMBL21465293

BrCc1cccc2sc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
CYP1A2 P05177 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL1042033 0.86 MAPT (0.47) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL4167217 0.86 GPR3 (0.35) GPR3
SCHEMBL19257713 0.82 GPR3 (0.56) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL3058488 0.81 GPR3 (0.48) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL508145 0.81 GPR3 (0.54) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL23056950 0.80 GPR3 (0.48) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL21369776 0.78 GPR3 (0.50) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL5798057 0.78 GPR3 (0.50) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL176274 0.77 GPR3 (0.48) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL5460623 0.75 GPR3 (0.47) GPR3MAPTALDH1A1HPGDRAB9A

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-12054470-B2 Photoswitchable dibenzothienylmethyl triphenylphosphonium derivatives and methods of treating cancer therewith SAINT LOUIS UNIVERSITY (US) 2024-08-06 US disclosed
US-20210147378-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH SAINT LOUIS UNIVERSITY (US) 2021-05-20 US disclosed
WO-2019199911-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH SAINT LOUIS UNIVERSITY (US) 2019-10-17 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 (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-12054470-B2 Photoswitchable dibenzothienylmethyl triphenylphosphonium derivatives and methods of treating cancer therewith RB1, NTPCR, DPYD GPR3 4503/4885MAPT 4208/4885ALDH1A1 177/4885
US-20210147378-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH RB1, NTPCR, DPYD GPR3 4503/4885MAPT 4208/4885ALDH1A1 177/4885

“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.