SCHEMBL17817432

SCHEMBL17817432

CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCC2

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
KDM4E B2RXH2 6/20 0.77
MAPT P10636 9/20 0.71
SMN1; SMN2 Q16637 5/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
RAB9A P51151 1/20 0.69
MAPK10 P53779 1/20 0.69
TSHR P16473 4/20 0.68
HSD17B10 Q99714 2/20 0.68
MAPK1 P28482 1/20 0.68
POLB P06746 1/20 0.67
TP53 P04637 1/20 0.62
HPGD P15428 2/20 0.58
MCL1 Q07820 1/20 0.58
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
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
SCHEMBL17816985 0.96 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3646473 0.88 KDM4E (0.76) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3648831 0.87 KDM4E (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL8288688 0.87 ALDH1A1 (0.91) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL6437345 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL8288672 0.85 ALDH1A1 (0.93) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL14542539 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL24104916 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3125764 0.83 ALDH1A1 (0.88) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL8288697 0.82 ALDH1A1 (0.86) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
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 999/4885KDM4E 812/4885MAPT 4762/4885

“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.