SCHEMBL4988389

SCHEMBL4988389

CC(C)CCC1(CCC(C)C)C(=O)C=C(O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ SLC25A5 P05141 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNQ2 O43526 2/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL4988260 0.84 DHODH (0.39) DHODHALDH1A1CYP3A4MAPTKDM4E
SCHEMBL4000062 0.84 DHODH (0.39) DHODHALDH1A1CYP3A4MAPTKDM4E
SCHEMBL4991319 0.84 DHODH (0.39) DHODHALDH1A1CYP3A4MAPTKDM4E
SCHEMBL4000011 0.83 PGR (0.44) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL4001745 0.81 KDM4E (0.41) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL3782236 0.77 APEX1 (0.48) DHODHALDH1A1CYP3A4KDM4EAPEX1
SCHEMBL4131106 0.75 ALDH1A1 (0.39) DHODHALDH1A1CYP3A4MAPTKDM4E
SCHEMBL27705660 0.73 APEX1 (0.41) DHODHALDH1A1CYP3A4KDM4EAPEX1
SCHEMBL4000087 0.72 ALDH1A1 (0.34) DHODHALDH1A1CYP3A4MAPTKDM4E
SCHEMBL6516819 0.71 ALDH1A1 (0.36) DHODHALDH1A1KDM4EMMP9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 — — US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 — — US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 — — 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT DHODH 877/4885ALDH1A1 2554/4885CYP3A4 581/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT DHODH 79/4885ALDH1A1 311/4885CYP3A4 164/4885

“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.

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