SCHEMBL19405341

SCHEMBL19405341

C[C@@H](O)CCCCOS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TSHR P16473 2/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MMP9 P14780 1/20 0.62
ALOX15 P16050 1/20 0.62
CA1 P00915 16/20 0.34
CA2 P00918 16/20 0.34
CA9 Q16790 15/20 0.34
CA12 O43570 5/20 0.33
CA7 P43166 5/20 0.33
CA14 Q9ULX7 5/20 0.33
CA3 P07451 4/20 0.33
CA4 P22748 4/20 0.33
CA6 P23280 4/20 0.33
CA5A P35218 4/20 0.33
CA5B Q9Y2D0 4/20 0.33
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL19405342 1.00 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL8914005 0.98 TSHR (0.60) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL21595681 0.85 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL26247047 0.85 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL26247045 0.85 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL18746519 0.83 KDM4E (0.62) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL6484412 0.83 LMNA (0.68) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL18419074 0.81 LMNA (0.65) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL11400795 0.81 LMNA (0.65) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL8860696 0.81 LMNA (0.65) ALDH1A1TSHRKDM4EUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225614-B1 KINETIC RESOLUTION OF ASYMMETRIC CATALYTIC HYDROGENATION OF RACEMIC -HYDROXY ESTER AND APPLICATION THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2020-10-28 EP disclosed
US-10676422-B2 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2020-06-09 US disclosed
US-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2017-11-23 US disclosed
EP-3225614-A1 KINETIC RESOLUTION OF ASYMMETRIC CATALYTIC HYDROGENATION OF RACEMIC -HYDROXY ESTER AND APPLICATION THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2017-10-04 EP 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-10676422-B2 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof CYP8B1, HRH4, CYP3A5 ALDH1A1 2665/4885TSHR 2420/4885KDM4E 1086/4885
US-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof CYP8B1, CYP3A5, HRH4 ALDH1A1 2416/4885TSHR 1854/4885KDM4E 1057/4885

“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.