SCHEMBL4001745

SCHEMBL4001745

CCCCC1(CCCC)C(=O)C=C(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ APEX1 P27695 1/20 0.38
▸ PGR P06401 3/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ APAF1 O14727 1/20 0.34

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
SCHEMBL4000011 0.91 PGR (0.44) KDM4EAPEX1PGRCYP2C9NPSR1
SCHEMBL4988294 0.84 ALDH1A1 (0.35) KDM4EPKMELANEPGRCYP2C19
SCHEMBL4988310 0.81 CA1 (0.34) KDM4EPKMELANEMMP13NPSR1
SCHEMBL4988389 0.81 DHODH (0.40) KDM4EAPEX1PGRCYP2C19MMP9
SCHEMBL4988287 0.77 PGR (0.38) KDM4EAPEX1PGRCYP2C19CYP2C9
SCHEMBL30110388 0.76 APEX1 (0.50) KDM4EPKMELANEAPEX1PGR
SCHEMBL1394531 0.76 APEX1 (0.50) KDM4EPKMELANEAPEX1PGR
Alcohol SCHEMBL28131207 0.75 APEX1 (0.50) KDM4EPKMELANEAPEX1PGR
SCHEMBL28799915 0.75 APEX1 (0.48) KDM4EPKMELANEAPEX1PGR
Benzene SCHEMBL27655081 0.75 APEX1 (0.53) KDM4EPKMELANEAPEX1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 — — US disclosed
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 KDM4E 4295/4885PKM 3369/4885ELANE 82/4885
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 KDM4E 1165/4885PKM 3112/4885ELANE 1412/4885

“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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