SCHEMBL254971

SCHEMBL254971

COOCc1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP2A6 P11509 3/20 0.48
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A3 P47895 2/20 0.41
ALDH3A1 P30838 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TACR2 P21452 1/20 0.40
TSHR P16473 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL3146081 0.83 ALDH1A1 (0.52) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL13413218 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPDCD1CD274
SCHEMBL8362192 0.78 ERN1 (0.53) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL254407 0.77 MAOA (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1TDP1
SCHEMBL4945584 0.75 ALDH1A1 (0.49) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL4064508 0.75 ALDH1A1 (0.45) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL19209511 0.75 ALDH1A1 (0.70) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL12994057 0.75 NFE2L2 (0.53)
SCHEMBL13266987 0.74 ALDH5A1 (0.46) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL12933615 0.74 ALDH5A1 (0.46) ALDH1A1CYP2A6LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012033435-A1 METHOD, COMPOUND, PHARMACEUTICAL COMPOSITION AND DRUG FOR RESTORING MEMORY LOST IN NORMAL AND PATHOLOGICAL CONTEXTS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОФАРМ-МЕМОРЕЙН" (RU) 2012-03-15 WO disclosed
WO-2012030258-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОФАРМ-МЕМОРЕЙН" (RU) 2012-03-08 WO disclosed
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 US disclosed
US-7807135-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-10-05 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 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 (2 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ALDH1A1 687/4885CYP2A6 94/4885LMNA 3214/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CYP2A6 3018/4885LMNA 3643/4885

“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.