SCHEMBL23083205

SCHEMBL23083205

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nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRB1 P08588 1/20 0.43
DNMT1 P26358 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
TK2 O00142 1/20 0.40

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
SCHEMBL22010368 1.00 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14503531 0.88 TK1 (0.35) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15893329 0.86 TK1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL18879685 0.84 LMNA (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15893331 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15895622 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16180381 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16180380 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL24254562 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15893328 0.84 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210068663-A1 DEVICES, COMPOSITIONS AND METHODS FOR IMAGING WITH RAMAN SCATTERING AND FOR SUPER-MULTIPLEX VIBRATIONAL IMAGING THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-03-11 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-20210068663-A1 DEVICES, COMPOSITIONS AND METHODS FOR IMAGING WITH RAMAN SCATTERING AND FOR SUPER-MULTIPLEX VIBRATIONAL IMAGING VCL, TTR, VSIR TK1 4540/4885LMNA 994/4885SMN1; SMN2 228/4885

“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.