SCHEMBL26324989

SCHEMBL26324989

CC(C)OC(=O)C(C(C)C)N(c1ccc2c(c1)OCO2)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKCZ Q05513 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 2/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL25440257 0.89 HPGD (0.43) HPGDPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL26324971 0.80 TP53 (0.39) HPGDPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL26327903 0.77 TAS1R3 (0.43) HPGDPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL20564582 0.68 TP53 (0.41) HPGDPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL20266539 0.65 TRPM8 (0.44) HPGDALDH1A1KMT2AMAPK1CTNNB1
SCHEMBL26324800 0.64 TSHR (0.42) ALDH1A1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL9460103 0.64 EDNRA (0.49) HPGDPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL26324999 0.63 ALOX5 (0.37) POLBALDH1A1KMT2AMEN1PKM
SCHEMBL26324953 0.63 HSD17B1 (0.40) ALDH1A1KMT2AMEN1TP53MAPK1
SCHEMBL26325014 0.63 PDCD1 (0.51) PKMMAPTGAANPC1RAB9A

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 HPGD 3275/4885POLB 776/4885ALDH1A1 1805/4885

“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.