SCHEMBL1402593

SCHEMBL1402593

COc1cc(OC)c([S])c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CYP1A2 P05177 7/20 0.45
▸ CYP3A4 P08684 5/20 0.45
▸ CYP1A1 P04798 6/20 0.43
▸ CYP1B1 Q16678 6/20 0.43
▸ HPGD P15428 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39

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
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL9170974 0.76 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL1402759 0.76 ALDH1A1 (0.79) ALDH1A1CA12CA1CA2CA7
SCHEMBL1402344 0.75 CYP1A2 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL686849 0.74 CYP1A2 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL862161 0.74 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL10734888 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL12581396 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL2091704 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL9173991 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899791-B2 Method for synthesizing etelcalcetide or salts thereof CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO. LTD (TW) 2021-01-26 — — US claimed
US-20190100554-A1 METHOD FOR SYNTHESIZING ETELCALCETIDE OR SALTS THEREOF CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO. LTD (TW) 2019-04-04 — — US claimed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 — — EP disclosed
US-10899791-B2 Method for synthesizing etelcalcetide or salts thereof CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO. LTD (TW) 2021-01-26 — — US disclosed
US-20190100554-A1 METHOD FOR SYNTHESIZING ETELCALCETIDE OR SALTS THEREOF CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO. LTD (TW) 2019-04-04 — — US disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 — — EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 — — EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 — — EP disclosed
EP-2292597-B1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2015-03-04 — — EP disclosed
US-8697889-B2 Metal compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the resin MITSUI CHEMICALS, INC. (JP) 2014-04-15 — — US disclosed
EP-1813639-B1 METAL-CONTAINING COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2014-03-12 — — EP disclosed
US-20070191615-A1 Polymerizable compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-08-16 — — US disclosed
EP-1813639-A1 METAL-CONTAINING COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2007-08-01 — — EP disclosed
EP-1731547-A1 POLYMERIZABLE COMPOUNDS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-12-13 — — EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 — — US disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 — — EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885CA12 1998/4885CA1 3493/4885
US-20190100554-A1 METHOD FOR SYNTHESIZING ETELCALCETIDE OR SALTS THEREOF PTMS, PTH1R, CYP24A1 ALDH1A1 2583/4885CA12 1752/4885CA1 915/4885
US-20070191615-A1 Polymerizable compound and use thereof RPS4X, MLX, RPS4Y1 ALDH1A1 3156/4885CA12 3194/4885CA1 1618/4885
US-10899791-B2 Method for synthesizing etelcalcetide or salts thereof PTMS, PTH1R, CYP24A1 ALDH1A1 2583/4885CA12 1752/4885CA1 915/4885

“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.

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