SCHEMBL21448985

SCHEMBL21448985

NC1CCCC(C(=O)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
TRPM8 Q7Z2W7 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
FKBP1A P62942 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL23627579 0.94 TSHR (0.50) TSHRALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL7639964 0.90 FKBP1A (0.50) TSHRALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL304689 0.87 FKBP1A (0.53) TSHRALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL7642406 0.87 ALDH1A1 (0.55) TSHRALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL20625314 0.86 TSHR (0.50) TSHRALDH1A1GAATRPM8SMN1; SMN2
SCHEMBL7641957 0.86 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2CYP2C19FKBP1A
SCHEMBL2706422 0.86 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2CYP2C19FKBP1A
SCHEMBL7637109 0.86 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2CYP2C19FKBP1A
SCHEMBL22644548 0.80 ALDH1A1 (0.49) TSHRALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL23306961 0.80 ALDH1A1 (0.49) TSHRALDH1A1GAASMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954266-B2 Linker molecule and use thereof in methods for purifying peptides Belyntic GmbH (DE) 2021-03-23 US disclosed
US-20190309013-A1 LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES Belyntic GmbH (DE) 2019-10-10 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 (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-20190309013-A1 LINKER MOLECULE AND USE THEREOF IN METHODS FOR PURIFYING PEPTIDES SPPL2B, VIP, SPPL2A TSHR 2400/4885ALDH1A1 3986/4885GAA 3313/4885
US-10954266-B2 Linker molecule and use thereof in methods for purifying peptides SPPL2B, VIP, SPPL2A TSHR 2400/4885ALDH1A1 3986/4885GAA 3313/4885

“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.