SCHEMBL6414654

SCHEMBL6414654

CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALOX5 P09917 3/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.49
TSPO P30536 1/20 0.49
MAPK1 P28482 1/20 0.49
MAOB P27338 2/20 0.49

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
SCHEMBL6414656 1.00 L3MBTL1 (0.59) L3MBTL1ALOX5PTGS1PTGS2LTB4R
SCHEMBL6415755 0.90 KMT2A (0.53) L3MBTL1ALOX5PTGS1PTGS2FFAR1
SCHEMBL6415754 0.90 KMT2A (0.53) L3MBTL1ALOX5PTGS1PTGS2FFAR1
SCHEMBL6412481 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6412477 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6414642 0.83 KMT2A (0.62) L3MBTL1LTB4RLTB4R2FFAR1RAB9A
SCHEMBL6414638 0.83 KMT2A (0.62) L3MBTL1LTB4RLTB4R2FFAR1RAB9A
SCHEMBL6412543 0.82 ALDH1A1 (0.56) SMN1; SMN2KMT2AMAPK1
SCHEMBL6412540 0.82 ALDH1A1 (0.56) SMN1; SMN2KMT2AMAPK1
SCHEMBL6418344 0.81 ALOX5 (0.74) L3MBTL1ALOX5PTGS1PTGS2LTB4R

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 7 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
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (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 L3MBTL1 826/4885ALOX5 864/4885PTGS1 1606/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 L3MBTL1 649/4885ALOX5 1451/4885PTGS1 1224/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 L3MBTL1 649/4885ALOX5 1451/4885PTGS1 1224/4885

“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.