SCHEMBL3746980

SCHEMBL3746980

COc1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
PGR P06401 4/20 0.55
MTNR1B P49286 8/20 0.54
MTNR1A P48039 6/20 0.54
LTA4H P09960 1/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL10709191 0.89 SMN1; SMN2 (0.80) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL16890736 0.89 ALDH1A1 (0.60) SMN1; SMN2PGRLTA4HALDH1A1MAPT
SCHEMBL11049862 0.87 SMN1; SMN2 (0.77) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL2628117 0.87 HPGD (0.68) SMN1; SMN2PGRMTNR1BMTNR1AALDH1A1
SCHEMBL4608736 0.85 SMN1; SMN2 (0.73) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL13167638 0.85 SMN1; SMN2 (0.72) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL30053231 0.85 SMN1; SMN2 (0.72) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL29929943 0.85 SMN1; SMN2 (0.72) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL1061713 0.85 SMN1; SMN2 (0.72) SMN1; SMN2PGRMTNR1BMTNR1ALTA4H
SCHEMBL12031068 0.84 HTT (0.53) SMN1; SMN2ALDH1A1MAPTNPSR1MEN1

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
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 US disclosed
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 EP disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 US disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 CN disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 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 (4 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 SMN1; SMN2 3032/4885PGR 3878/4885MTNR1B 2908/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 SMN1; SMN2 3032/4885PGR 3878/4885MTNR1B 2908/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 SMN1; SMN2 1080/4885PGR 2709/4885MTNR1B 821/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT SMN1; SMN2 3614/4885PGR 4272/4885MTNR1B 2967/4885

“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.