SCHEMBL3740175

SCHEMBL3740175

COc1ccc(COc2ccc(C(=O)O)c(C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
POLB P06746 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
PLA2G4B P0C869 1/20 0.58
FFAR1 O14842 2/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
APEX1 P27695 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PPARD Q03181 1/20 0.52

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
SCHEMBL1022035 0.88 MAOB (0.64) SMN1; SMN2PLA2G4BALDH1A1MRGPRX4MEN1
Benzene SCHEMBL28056879 0.88 MAOB (0.64) SMN1; SMN2PLA2G4BALDH1A1MRGPRX4MEN1
SCHEMBL8425312 0.88 RAB9A (0.65) RAB9ANPC1POLBSMN1; SMN2PLA2G4B
SCHEMBL10397844 0.87 MAOB (0.64) RAB9ANPC1SMN1; SMN2HTTPKM
Hydrochloric Acid SCHEMBL9440598 0.87 MAOB (0.62) SMN1; SMN2PLA2G4BALDH1A1MRGPRX4MEN1
SCHEMBL10397557 0.85 NPC1 (0.60) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL29032420 0.85 SMN1; SMN2 (0.61) RAB9ANPC1POLBSMN1; SMN2PLA2G4B
SCHEMBL10396482 0.85 RXRB (0.68) RAB9ANPC1POLBSMN1; SMN2L3MBTL1
SCHEMBL10395970 0.83 TUBB1 (0.60) RAB9ANPC1POLBSMN1; SMN2HTT
SCHEMBL7900610 0.83 RAB9A (0.58) RAB9ANPC1POLBSMN1; SMN2PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 US disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 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 (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-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO RAB9A 2922/4885NPC1 550/4885POLB 47/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 RAB9A 4637/4885NPC1 645/4885POLB 322/4885

“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.