SCHEMBL22435239

SCHEMBL22435239

C=CCc1cc(C(C)(C)c2ccc(OCC(O)CCCCCCCCCCCC)c(CC=C)c2)ccc1OCC(O)CCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
TSHR P16473 2/20 0.41
HTR1A P08908 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL22435316 1.00 VDR (0.42) VDRALDH1A1MAPTLMNAKDM4E
SCHEMBL194650 0.83 VDR (0.47) VDRALDH1A1MAPTLMNAKDM4E
SCHEMBL23895825 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL29330676 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL22222289 0.78 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL23895816 0.78 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL22916705 0.78 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL24436451 0.76 ALDH1A1 (0.45) VDRALDH1A1MAPTLMNAKDM4E
SCHEMBL10705914 0.76 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL29330660 0.76 LMNA (0.43) ALDH1A1MAPTLMNAKDM4EHTT

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-20220177403-A1 REACTIVE SURFACTANTS STEPAN COMPANY 2022-06-09 US disclosed
WO-2020185513-A1 REACTIVE SURFACTANTS STEPAN COMPANY (US) 2020-09-17 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-20220177403-A1 REACTIVE SURFACTANTS SMURF1, STS, ESD VDR 3667/4885ALDH1A1 3060/4885MAPT 2488/4885

“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.