SCHEMBL6418625

SCHEMBL6418625

CN(Cc1ccco1)C(=O)/C=C1\OC(C)(C)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
HSD11B1 P28845 1/20 0.46
LIPE Q05469 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAM17 P78536 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6418627 1.00 RIPK1 (0.47) RIPK1HSD11B1LIPEL3MBTL1ALOX5
SCHEMBL6412353 0.81 MAPT (0.55) HPGDNPSR1MAPTALDH1A1GFER
SCHEMBL6412357 0.81 MAPT (0.55) HPGDNPSR1MAPTALDH1A1GFER
SCHEMBL6077341 0.79 ALDH1A1 (0.46) ALDH1A1POLB
SCHEMBL6076905 0.77 TACR1 (0.42) RIPK1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6076910 0.77 TACR1 (0.42) RIPK1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6415798 0.77 KDM4E (0.35) RIPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL6415800 0.77 KDM4E (0.35) RIPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL6419943 0.76 RIPK1 (0.38) RIPK1LIPEALDH1A1MEN1KMT2A
SCHEMBL6415181 0.76 HRH1 (0.37) L3MBTL1HPGDNPSR1ALDH1A1KMT2A

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
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 RIPK1 3528/4885HSD11B1 201/4885LIPE 4395/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885HSD11B1 134/4885LIPE 4113/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885HSD11B1 134/4885LIPE 4113/4885

“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.