SCHEMBL1752741

SCHEMBL1752741

CCCCCC1=CCOc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CNR1 P21554 3/20 0.39
CYP1A1 P04798 1/20 0.36
GPR3 P46089 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL292408 0.84 PKM (0.33) PKMTSHR
SCHEMBL294994 0.83 PKM (0.33) PKMTSHR
SCHEMBL293784 0.82 PKM (0.34) PKMTSHR
SCHEMBL9834913 0.82 PKM (0.34) PKMTSHR
SCHEMBL29794229 0.82 TSHR (0.34) PKMTSHRKCNH2
SCHEMBL25718526 0.81 TSHR (0.38) PKMTSHRKCNH2
SCHEMBL293833 0.78 PKM (0.36) PKMTSHR
SCHEMBL295321 0.74 PKM (0.38) PKMTSHR
SCHEMBL9768971 0.74 PKM (0.38) PKMTSHR
SCHEMBL9724429 0.74 PKM (0.38) PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860915-B A kind of preparation method of 4H-4-aryl benzopyrans compounds 昆明理工大学 2016-11-23 CN disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 CN disclosed
US-7968595-B2 R-stereoisomer of 2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-4H-chromene; treating solid tumors and ocular neovascularization; combination therapy; prodrugs made by reacting with protected amino acid CYTOVIA, INC. (US) 2011-06-28 US disclosed
CN-101657196-A Substituted 4-aryl-chromenes as activators of caspases and inducers of apoptosis and antiangiogenic agents and use thereof CYTOVIA INC US 2010-02-24 CN disclosed
CN-101657196-A Substituted 4-aryl-chromenes as activators of caspases and inducers of apoptosis and antiangiogenic agents and use thereof CYTOVIA INC US 2010-02-24 CN disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
US-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2008-04-10 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-20080085328-A1 Substituted 4-aryl-chromene as activator of caspases and inducer of apoptosis and as antivascular agent and the use thereof CASP1, CASP2, CASP3 PTPN1 2830/4885CNR1 850/4885CYP1A1 106/4885

“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.