SCHEMBL88815

SCHEMBL88815

COCCCOc1cc(C(C)=O)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
SMPD1 P17405 5/20 0.57
MEN1 O00255 3/20 0.56
PRSS1 P07477 3/20 0.55
TP53 P04637 1/20 0.55
MAOB P27338 2/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4775181 0.92 KMT2A (0.56) KMT2ASMPD1MEN1PRSS1TP53
SCHEMBL6856717 0.89 KMT2A (0.76) KMT2AMEN1PRSS1MAOBALDH1A1
SCHEMBL13461243 0.88 KMT2A (0.56) KMT2ASMPD1MEN1MAOB
SCHEMBL88998 0.88 CA12 (0.67) SMPD1PRSS1TP53TSHR
SCHEMBL31053926 0.88 MAPK1 (0.63) KMT2ASMPD1MEN1PRSS1TP53
SCHEMBL6588516 0.88 SMPD1 (0.64) KMT2ASMPD1MEN1MAOB
SCHEMBL17329448 0.88 KMT2A (0.58) KMT2ASMPD1MEN1PRSS1MAOB
SCHEMBL3373445 0.86 SMPD1 (0.71) KMT2ASMPD1MAOB
Hydrochloric Acid SCHEMBL3372494 0.86 CA12 (0.65) SMPD1PRSS1TP53TSHR
SCHEMBL2937932 0.86 SMPD1 (0.56) KMT2ASMPD1MEN1PRSS1TP53

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (5 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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 KMT2A 2222/4885SMPD1 4141/4885MEN1 3039/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KMT2A 3129/4885SMPD1 1027/4885MEN1 2336/4885
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 KMT2A 2222/4885SMPD1 4141/4885MEN1 3039/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 KMT2A 2222/4885SMPD1 4141/4885MEN1 3039/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 KMT2A 921/4885SMPD1 1119/4885MEN1 825/4885

“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.