SCHEMBL22654576

SCHEMBL22654576

C=Cn1cccc1-c1cccc(-c2cccn2C=C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALPL P05186 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL12081976 0.74 DAPK3 (0.32) SMN1; SMN2GAA
SCHEMBL439225 0.68 KDM4E (0.49) ALDH1A1MAPTHSD17B10MEN1RAB9A
SCHEMBL2249334 0.67 CYP11B2 (0.34) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL7567155 0.67
SCHEMBL4901096 0.67 ACHE (0.39) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL6443245 0.63
SCHEMBL20981454 0.63
SCHEMBL13317702 0.63
SCHEMBL8444359 0.60
SCHEMBL536875 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240288410-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES UNIV NEW YORK STATE RES FOUND (US) 2024-08-29 US disclosed
US-11953479-B2 Selective optical aqueous and non-aqueous detection of free sulfites THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-09 US disclosed
EP-3692366-B1 SELECTIVE OPTICAL AQUEOUS AND NON-AQUEOUS DETECTION OF FREE SULFITES UNIV NEW YORK STATE RES FOUND (US) 2022-12-14 EP disclosed
US-20200363382-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY FOR THE STATE OF NEW YORK 2020-11-19 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 (3 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-20240288410-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES PRDX4, PTPN12, PTPN4 ALDH1A1 2308/4885POLB 1866/4885MAPT 4554/4885
US-20200363382-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES PRDX4, PTPN12, PTPN4 ALDH1A1 2280/4885POLB 1828/4885MAPT 4540/4885
US-11953479-B2 Selective optical aqueous and non-aqueous detection of free sulfites PTPN4, PTPN12, PRDX4 ALDH1A1 2128/4885POLB 1737/4885MAPT 4426/4885

“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.