SCHEMBL21467006

SCHEMBL21467006

O=S(=O)(O)CCCC1=CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
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
SCHEMBL22504989 0.95 ALDH1A1 (0.49) ALDH1A1ALOX15TDP1L3MBTL1POLB
SCHEMBL27628750 0.76 SMN1; SMN2 (0.49) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL955333 0.75 ALDH1A1 (0.49) ALDH1A1ALOX15TDP1TAAR1SMN1; SMN2
SCHEMBL955334 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL987088 0.74 ALDH1A1 (0.55) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL10378541 0.73 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL988106 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL17373980 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL7919931 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1
SCHEMBL7931579 0.72 ALDH1A1 (0.43) ALDH1A1ALOX15TAAR1SMN1; SMN2MEN1

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-10442981-B2 Hydroxypropyl betaine based zwitterionic geminal liquids, obtaining process and use as wettability modifiers with inhibitory/dispersants properties of asphaltenes INSTITUTO MEXICANO DEL PETRÓLEO (MX) 2019-10-15 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-10442981-B2 Hydroxypropyl betaine based zwitterionic geminal liquids, obtaining process and use as wettability modifiers with inhibitory/dispersants properties of asphaltenes GEMIN5, GEMIN4, DHCR7 ALDH1A1 4493/4885ALOX15 1028/4885TDP1 2012/4885

“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.