SCHEMBL17816985

SCHEMBL17816985

CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.77
MAPT P10636 7/20 0.77
POLB P06746 1/20 0.73
KDM4E B2RXH2 5/20 0.71
TP53 P04637 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
RAB9A P51151 1/20 0.64
MAPK10 P53779 1/20 0.64
HPGD P15428 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 1/20 0.58
CNR2 P34972 1/20 0.58
TLR2 O60603 1/20 0.57

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
SCHEMBL17817432 0.96 ALDH1A1 (0.77) ALDH1A1MAPTPOLBKDM4ETP53
SCHEMBL3646473 0.90 KDM4E (0.76) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL3648831 0.88 KDM4E (0.78) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL24104916 0.88 ALDH1A1 (0.67) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL6437345 0.87 ALDH1A1 (0.68) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL8288697 0.86 ALDH1A1 (0.86) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL3125764 0.84 ALDH1A1 (0.88) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL8288688 0.83 ALDH1A1 (0.91) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL8288717 0.83 POLB (0.97) ALDH1A1MAPTPOLBKDM4ETP53
SCHEMBL3684643 0.82 ALDH1A1 (0.74) ALDH1A1MAPTPOLBKDM4ETP53

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
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ALDH1A1 999/4885MAPT 4762/4885POLB 4272/4885

“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.