SCHEMBL9949768

SCHEMBL9949768

CC(CC1CCCCO1)c1ccccc1CCOCCc1ccccc1C(C)CC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.36
CYP3A4 P08684 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 2/20 0.36
MGLL Q99685 1/20 0.34
PKM P14618 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
Water SCHEMBL10181063 0.85 HPGD (0.36) HTR2ACYP3A4KMT2AKDM4EMEN1
Water SCHEMBL9950293 0.85 HPGD (0.36) HTR2ACYP3A4KMT2AKDM4EMEN1
Water SCHEMBL10179923 0.85 HPGD (0.38) HTR2ACYP3A4KMT2AKDM4EMEN1
Water SCHEMBL9950902 0.85 HPGD (0.36) HTR2ACYP3A4KMT2AKDM4EMEN1
Water SCHEMBL9949277 0.85 HPGD (0.36) HTR2ACYP3A4KMT2AKDM4EMEN1
Water SCHEMBL10179762 0.79 PKM (0.43) KDM4EALDH1A1CYP1A2HPGDPKM
Water SCHEMBL9949680 0.79 PKM (0.43) KDM4EALDH1A1CYP1A2HPGDPKM
SCHEMBL9615012 0.72 HPGD (0.34) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL891328 0.69 HPGD (0.59) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL29706732 0.66 HPGD (0.51) CYP3A4KDM4EALDH1A1CYP1A2CYP2D6

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
EP-2474535-B1 SYNTHETIC METHOD OF MONTELUKAST SODIUM INTERMEDIATE SHANDONG NEW TIME PHARMACEUTICAL CO LTD (CN) 2014-07-02 EP disclosed
US-8569508-B2 Synthetic method for montelukast sodium intermediate SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2013-10-29 US disclosed
EP-2474535-A1 SYNTHETIC METHOD OF MONTELUKAST SODIUM INTERMEDIATE Shandong New Time Pharmaceutical Co., Ltd. (CN) 2012-07-11 EP disclosed
US-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE SHANDONG NEW TIME PHARMACEUTICAL CO. LTD. (CN) 2012-06-28 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 (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-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE LTC4S, CMA1, PTGIS HTR2A 1762/4885CYP3A4 268/4885KMT2A 1965/4885

“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.