SCHEMBL5544140

SCHEMBL5544140

OC(Cn1cncn1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
CYP19A1 P11511 4/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7783933 1.00 TSHR (0.58) TSHRCYP19A1KMT2AMEN1ALDH1A1
SCHEMBL10999589 0.91 MEN1 (0.49) TSHRCYP19A1KMT2AMEN1ALDH1A1
SCHEMBL11197512 0.87 KDM4E (0.50) TSHRCYP19A1KMT2AMEN1ALDH1A1
SCHEMBL10959984 0.84 CYP19A1 (0.56) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL11270600 0.83 NPSR1 (0.49) TSHRCYP19A1KMT2AMEN1ALDH1A1
SCHEMBL11273790 0.83 CYP19A1 (0.59) TSHRCYP19A1KMT2AHSP90AA1POLB
SCHEMBL11188697 0.83 HMOX1 (0.51) TSHRCYP19A1KMT2AMEN1ALDH1A1
SCHEMBL9634892 0.83 CYP19A1 (0.50) CYP19A1KMT2AMEN1ALDH1A1POLB
SCHEMBL11001193 0.82 CYP19A1 (0.56) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL11182572 0.82 POLB (0.42) TSHRCYP19A1KMT2AMEN1ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1035357-C Pharmaceutical preparations MACK CHEM PHARM (DE) 1997-07-09 CN claimed
CN-1052046-A pharmaceutical preparation MACK CHEM PHARM (DE) 1991-06-12 CN claimed
CN-110603032-A Strippable nail paint 牡蛎壳公司 2019-12-20 CN disclosed
CN-110582261-A Colored cuticle separating nail lacquer 牡蛎壳公司 2019-12-17 CN disclosed
US-20180194742-A1 Antifungal Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-07-12 US disclosed
US-8975289-B2 Benzyl aralkyl ether compounds, method for preparing same, intermediate compounds, use of said compounds, method for treatment and/or prevention, pharmaceutical composition and medicament containing same Biolab Sanus Farmaceutical Ltda. (BR) 2015-03-10 US disclosed
US-8975289-B2 Benzyl aralkyl ether compounds, method for preparing same, intermediate compounds, use of said compounds, method for treatment and/or prevention, pharmaceutical composition and medicament containing same Biolab Sanus Farmaceutical Ltda. (BR) 2015-03-10 US disclosed
US-20120196908-A1 BENZYL ARALKYL ETHER COMPOUNDS, METHOD FOR PREPARING SAME, INTERMEDIATE COMPOUNDS, USE OF SAID COMPOUNDS, METHOD FOR TREATMENT AND/OR PREVENTION, PHARMACEUTICAL COMPOSITION AND MEDICAMENT CONTAINING SAME BIOLAB SANUS FARMACEUTICA LTDA. (BR) 2012-08-02 US disclosed
US-20120196908-A1 BENZYL ARALKYL ETHER COMPOUNDS, METHOD FOR PREPARING SAME, INTERMEDIATE COMPOUNDS, USE OF SAID COMPOUNDS, METHOD FOR TREATMENT AND/OR PREVENTION, PHARMACEUTICAL COMPOSITION AND MEDICAMENT CONTAINING SAME BIOLAB SANUS FARMACEUTICA LTDA. (BR) 2012-08-02 US disclosed
EP-2471781-A1 BENZYL ARALKYL ETHER COMPOUNDS, METHOD FOR PREPARING SAME, INTERMEDIATE COMPOUNDS, USE OF SAID COMPOUNDS, METHOD FOR TREATMENT AND/OR PREVENTION, PHARMACEUTICAL COMPOSITION AND MEDICAMENT CONTAINING SAME Biolab Sanus Farmacéutica Ltda (BR) 2012-07-04 EP disclosed
EP-1827400-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS Nu-Tein Co., Inc. (US) 2007-09-05 EP disclosed
US-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
EP-0068144-A1 1,1-Diphenyl-2-triazolyl-ethanes, their preparation and their application as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed
US-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0008651-B1 DERIVATIVES OF TRIAZOLE, PROCESS FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
US-4256754-A PHENYL-1,2,4-TRIAZOLE DERIVATIVE, CARBAMATE BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
EP-0008651-A1 Derivatives of triazole, process for their production and insecticides containing them BASF Aktiengesellschaft (DE) 1980-03-19 EP disclosed
US-4102891-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (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-20180194742-A1 Antifungal Compounds ERG28, DPM1, CYP51A1 TSHR 4849/4885CYP19A1 2297/4885KMT2A 4101/4885
US-20120196908-A1 BENZYL ARALKYL ETHER COMPOUNDS, METHOD FOR PREPARING SAME, INTERMEDIATE COMPOUNDS, USE OF SAID COMPOUNDS, METHOD FOR TREATMENT AND/OR PREVENTION, PHARMACEUTICAL COMPOSITION AND MEDICAMENT CONTAINING SAME CYP2E1, CYP1A1, CYP2S1 TSHR 888/4885CYP19A1 166/4885KMT2A 2661/4885

“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.