SCHEMBL4988287

SCHEMBL4988287

CCCC1(C)C(=O)C=C(O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTPN22 Q9Y2R2 1/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL4988294 0.91 ALDH1A1 (0.35) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL3995876 0.84 ALDH1A1 (0.34) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL4004336 0.84 ALDH1A1 (0.34) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL4988260 0.84 DHODH (0.39) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL4000062 0.84 DHODH (0.39) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL4991319 0.84 DHODH (0.39) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL4000087 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL4000011 0.83 PGR (0.44) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL4002399 0.81 ACHE (0.36) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL4986269 0.80 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDMAPTCYP3A4

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 4 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
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 — — 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT PGR 3375/4885ALDH1A1 2554/4885KDM4E 4295/4885
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 PGR 3447/4885ALDH1A1 311/4885KDM4E 1165/4885

“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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