SCHEMBL1074094

SCHEMBL1074094

C1=CC(C2CCCC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.35
PRCP P42785 1/20 0.35
HTR6 P50406 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HTR2C P28335 6/20 0.32
HTR2B P41595 6/20 0.32
HRH3 Q9Y5N1 5/20 0.32
CYP2D6 P10635 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4854655 0.98 PRCP (0.38) HTR2APRCPHTR6IDO1TDO2
SCHEMBL10589173 0.98 PRCP (0.38) HTR2APRCPHTR6IDO1TDO2
SCHEMBL9808112 0.98 PRCP (0.38) HTR2APRCPHTR6IDO1TDO2
SCHEMBL7605148 0.98 PRCP (0.38) HTR2APRCPHTR6IDO1TDO2
SCHEMBL28839778 0.96 HTR2A (0.35) HTR2APRCPHTR6IDO1TDO2
SCHEMBL10352714 0.92 HTR2A (0.38) HTR2AHTR6HTR2CHTR2BCYP2D6
SCHEMBL6443438 0.84 HDAC4 (0.34) KDM4EALDH1A1POLB
SCHEMBL7185802 0.84 HTR2A (0.35) HTR2AHTR6IDO1TDO2CYP2D6
SCHEMBL7185808 0.84 HTR2A (0.35) HTR2AHTR6IDO1TDO2CYP2D6
SCHEMBL5698322 0.80 HTR2A (0.44) HTR2AHTR6HTR2CHTR2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187500-B1 METHOD FOR PRODUCING ANTITUMOR AGENT USING A HOMOGENIZER EISAI R&D MAN CO LTD (JP) 2019-01-02 EP disclosed
EP-3187500-A1 METHOD FOR PRODUCING ANTITUMOR AGENT USING HOMOGENIZER Eisai R&D Management Co., Ltd. (JP) 2017-07-05 EP disclosed
EP-2009041-B1 Fluorocarbon terminated oligo- and poly-carbonates as surface modifiers BASF SE (DE) 2011-05-25 EP disclosed
CN-1938345-B Magnesium chloride-based adducts and catalyst components obtained therefrom BASELL POLIOLEFINE SRL 2011-05-18 CN disclosed
EP-1846356-B1 FUNCTIONALIZED ESTERS, AMIDES OR URETHANES OF PERFLUORINATED ALCOHOLS OR AMINES AS SURFACE MODIFIERS BASF SE (DE) 2011-01-12 EP disclosed
CN-101910180-A Novel intermediates for halichondrin B analog synthesis and novel desulfonylation reaction for the intermediates EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
EP-2220094-A1 NOVEL INTERMEDIATE FOR HALICHONDRIN B ANALOG SYNTHESIS AND NOVEL DESULFONYLATION REACTION USED FOR THE INTERMEDIATE Eisai R&D Management Co., Ltd. (JP) 2010-08-25 EP disclosed
CN-100548992-C The 1,2,3-triazoles derivative of microbicidel (for example sterilization) SYNGENTA PARTICIPATIONS AG (CH) 2009-10-14 CN disclosed
US-20090203771-A1 NOVEL INTERMEDIATE FOR HALICHONDRIN B ANALOG SYNTHESIS AND NOVEL DESULFONYLATION REACTION USED FOR THE INTERMEDIATE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
WO-2009064029-A1 NOVEL INTERMEDIATE FOR HALICHONDRIN B ANALOG SYNTHESIS AND NOVEL DESULFONYLATION REACTION USED FOR THE INTERMEDIATE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-22 WO disclosed
CN-1938345-A Magnesium chloride-based adducts and catalyst components obtained therefrom BASELL POLIOLEFINE SRL (IT) 2007-03-28 CN disclosed
CN-1678593-A Microbiocidal (e.g. fungicidal) 1,2,3-triazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2005-10-05 CN 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 (1 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-20090203771-A1 NOVEL INTERMEDIATE FOR HALICHONDRIN B ANALOG SYNTHESIS AND NOVEL DESULFONYLATION REACTION USED FOR THE INTERMEDIATE NISCH, BMP2, SHH HTR2A 4252/4885PRCP 1722/4885HTR6 4299/4885

“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.