SCHEMBL22691970

SCHEMBL22691970

N#CC(=CC(=O)O)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 2/20 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
SCHEMBL28554503 0.86 ESR1 (0.56) CA1CA2SRD5A2ALDH1A1CA12
SCHEMBL854364 0.86 ESR1 (0.56) CA1CA2SRD5A2ALDH1A1CA12
SCHEMBL28093622 0.86 ESR1 (0.56) CA1CA2SRD5A2ALDH1A1CA12
SCHEMBL26827 0.86 ESR1 (0.56) CA1CA2SRD5A2ALDH1A1CA12
SCHEMBL670068 0.86 ALDH1A1 (0.46) TSHRCA1CA2TDP1ALDH1A1
SCHEMBL305984 0.86 ALDH1A1 (0.46) TSHRCA1CA2TDP1ALDH1A1
SCHEMBL19471869 0.86 ALDH1A1 (0.46) TSHRCA1CA2TDP1ALDH1A1
SCHEMBL23465057 0.85 ALDH1A1 (0.47) TDP1SRD5A2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20995949 0.85 TPMT (0.47) CA1CA2ALDH1A1ESR1ESR2
SCHEMBL8743711 0.85 SMN1; SMN2 (0.45) TP53CA1CA2TDP1ALDH1A1

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-12607636-B2 Carbene mass tagging NORTHEASTERN UNIVERSITY (US) 2026-04-21 US disclosed
US-20220244265-A1 CARBENE MASS TAGGING NORTHEASTERN UNIVERSITY 2022-08-04 US disclosed
WO-2020237132-A1 CARBENE MASS TAGGING NORTHEASTERN UNIVERSITY (US) 2020-11-26 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-12607636-B2 Carbene mass tagging SLCO1B3, SLCO2B1, SLCO2A1 TSHR 164/4885TP53 3429/4885CA1 481/4885

“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.