SCHEMBL2482829

SCHEMBL2482829

O=C(O)CC[C@H]1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 6/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GLA P06280 2/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL16060069 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL985927 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL4178282 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL18269655 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL31356503 0.89
SCHEMBL10878763 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL2481405 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL2397130 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
Hydrochloric Acid SCHEMBL11622152 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBUSP2
SCHEMBL2399889 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-2385109-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
EP-2377930-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
US-9193961-B2 Polynucleotides encoding enantioselective carboxylesterases and methods of making same B.R.A.I.N. AG (DE) 2015-11-24 US disclosed
EP-2013337-B1 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2013-03-27 EP disclosed
EP-2385109-A2 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-11-09 EP disclosed
EP-2377930-A1 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-10-19 EP disclosed
US-20090311745-A1 GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N AG (DE) 2009-12-17 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP ALDH1A1 3285/4885SMN1; SMN2 2830/4885LMNA 4095/4885

“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.