SCHEMBL16613936

SCHEMBL16613936

C=CC(F)(F)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KCNA3 P22001 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
THRB P10828 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
AOC3 Q16853 3/20 0.37
MAOB P27338 3/20 0.37
AOC2 O75106 2/20 0.37
MAOA P21397 2/20 0.37
DAO P14920 1/20 0.37
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL16613903 0.81 HDAC1 (0.42) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL14968477 0.81 HDAC1 (0.39) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL24196679 0.79 SMN1; SMN2 (0.44) ALDH1A1MAOBALOX15KMT2ASMN1; SMN2
Potassium Ion SCHEMBL17421828 0.77 HDAC1 (0.36) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL20749935 0.77 HDAC1 (0.40) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL10076987 0.77 LMNA (0.41) KCNA3HDAC1HDAC2MAOALTA4H
SCHEMBL2280790 0.76 ALDH1A1 (0.50) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL6478956 0.76 KCNA3 (0.41) ALDH1A1RECQLKCNA3THRBTAAR1
SCHEMBL17429872 0.74 HDAC1 (0.38) ALDH1A1RECQLKCNA3HDAC1HDAC2
SCHEMBL10703868 0.73 THRB (0.41) ALDH1A1RECQLKCNA3THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed
US-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-09-08 US disclosed
WO-2022057734-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR 凯特立斯(深圳)科技有限公司 2022-03-24 WO disclosed
WO-2021220061-A2 HETERODIMER COMPOSITIONS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS RIPPLE THERAPEUTICS CORPORATION (CA) 2021-11-04 WO disclosed
US-9670234-B2 Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs SCINOPHARM TAIWAN, LTD. (TW) 2017-06-06 US disclosed
US-9670234-B2 Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs SCINOPHARM TAIWAN, LTD. (TW) 2017-06-06 US disclosed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 US disclosed
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 US disclosed
WO-2015048736-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS IRIX PHARMACEUTICALS, INC. (US) 2015-04-02 WO 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 (3 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-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PTGES, PTGIS, PTGES2 ALDH1A1 1734/4885RECQL 3057/4885KCNA3 2690/4885
US-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF PTGES, PTGIS, PTGES2 ALDH1A1 915/4885RECQL 2630/4885KCNA3 2128/4885
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS PTGIS, PTGER1, PTGS1 ALDH1A1 307/4885RECQL 4526/4885KCNA3 992/4885

“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.