SCHEMBL3816062

SCHEMBL3816062

[O]C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.74
SRD5A2 P31213 1/20 0.61
LMNA P02545 2/20 0.60
POLB P06746 2/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.57
P2RX1 P51575 1/20 0.57
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNK3 O14649 1/20 0.54
PTGS1 P23219 2/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL3176325 0.85 CES2 (1.00) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL1237189 0.85 SRD5A2 (0.79) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL29433907 0.83 SRD5A2 (0.77) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL40186 0.83 SRD5A2 (0.77) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL4854791 0.83 CES2 (0.74) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL350153 0.83 CES2 (0.74) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL195557 0.82 CES2 (0.71) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL10424320 0.82 CES2 (0.71) CES2SRD5A2LMNAPOLBHPGD
SCHEMBL39834 0.82 CES2 (0.71) CES2SRD5A2LMNAPOLBHPGD
Hydrochloric Acid SCHEMBL10387616 0.82 SRD5A2 (0.74) CES2SRD5A2LMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-0249999-A2 Triazolyl ethyl ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1987-12-23 EP claimed
US-10112918-B2 15-oxospiramilactone derivatives, preparation method and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2018-10-30 US disclosed
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 US disclosed
US-9285679-B2 Actinic ray-sensitive or radiation-sensitive composition, and resist film, resist-coated mask blanks, resist pattern forming method and photomask each using the composition FUJIFILM CORPORATION (JP) 2016-03-15 US disclosed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
US-20150010855-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, AND RESIST FILM, RESIST-COATED MASK BLANKS, RESIST PATTERN FORMING METHOD AND PHOTOMASK EACH USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2015-01-08 US disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
EP-0782164-B1 Plasma display filter MITSUI CHEMICALS INC (JP) 2002-04-10 EP disclosed
WO-2001040221-A2 CYCLOPROPYL-ANELLATED 3-(4,5-DIHYDROISOXAZOL-3-YL)-SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
WO-2001040220-A2 3-(4,5-DIHYDROISOXAZOL-3-YL)-SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
US-5804102-A USE OF METAL COMPLEXES TO CUT OFF NEAR INFRARED RAYS; PREVENTION OF INTERFERENCE BETWEEN TELEVISION AND OTHER REMOTE CONTROLLED ELECTRONICS MITSUI CHEMICALS, INC. (JP) 1998-09-08 US disclosed
EP-0782164-A1 Plasma display filter MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-07-02 EP disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
EP-0249999-A2 Triazolyl ethyl ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1987-12-23 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 (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-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof WNT1, WNT3, WNT3A CES2 4376/4885SRD5A2 29/4885LMNA 2160/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885SRD5A2 467/4885LMNA 4642/4885
US-10112918-B2 15-oxospiramilactone derivatives, preparation method and uses thereof WNT1, WNT3, WNT3A CES2 4376/4885SRD5A2 29/4885LMNA 2160/4885

“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.