SCHEMBL606595

SCHEMBL606595

[CH2]CC/C=C\CC=CCC=CCC=CCC=CCC=CCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP19A1 P11511 4/20 0.48
PPARG P37231 3/20 0.48
OXER1 Q8TDS5 3/20 0.48
MAPT P10636 3/20 0.48
RXRA P19793 2/20 0.48
FFAR1 O14842 2/20 0.48
PTGS1 P23219 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
PPARA Q07869 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42

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
SCHEMBL1476325 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL9766332 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL606594 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL18837286 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL9766336 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL5457684 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1611597 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1611595 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL3685895 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL5457682 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153827-A Preparation method and application of benzylaminated omega-3 unsaturated fatty acid 广东药科大学 2020-05-15 CN claimed
EP-3331359-B1 AGRICULTURAL ADJUVANT COMPOSITIONS AND METHODS FOR USING SUCH COMPOSITIONS RHODIA OPERATIONS (FR) 2021-03-17 EP disclosed
EP-3666076-A2 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2020-06-17 EP disclosed
CN-111153827-A Preparation method and application of benzylaminated omega-3 unsaturated fatty acid 广东药科大学 2020-05-15 CN disclosed
EP-2757880-B1 ADJUVANT COMPOSITIONS, AGRICULTURAL PESTICIDE COMPOSITIONS, AND METHODS FOR MAKING AND USING SUCH COMPOSITIONS RHODIA OPERATIONS (FR) 2020-03-11 EP disclosed
US-10259987-B2 Amine adducts, derivatives thereof, methods for making such adducts and derivatives, and methods for using such adducts and derivatives RHODIA OPERATIONS (FR) 2019-04-16 US disclosed
US-20180220645-A1 AGRICULTURAL ADJUVANT COMPOSITIONS AND METHODS FOR USING SUCH COMPOSITIONS SPECIALTY OPERATIONS FRANCE (FR) 2018-08-09 US disclosed
EP-3331359-A1 AGRICULTURAL ADJUVANT COMPOSITIONS AND METHODS FOR USING SUCH COMPOSITIONS Rhodia Operations (FR) 2018-06-13 EP disclosed
EP-2794555-B1 AMINE ADDUCTS, DERIVATIVES THEREOF, METHODS FOR MAKING SUCH ADDUCTS AND DERIVATIVES, AND METHODS FOR USING SUCH ADDUCTS AND DERIVATIVES RHODIA OPERATIONS (FR) 2017-09-27 EP disclosed
EP-2603075-B1 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2017-07-12 EP disclosed
WO-2015103192-A1 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-07-09 WO disclosed
US-20150181862-A1 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-07-02 US disclosed
US-8841235-B2 Agricultural pesticide compositions RHODIA OPERATIONS (FR) 2014-09-23 US disclosed
WO-2014066466-A1 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2014-05-01 WO disclosed
US-20140113827-A1 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2014-04-24 US disclosed
US-20130161014-A1 AMINE ADDUCTS, DERIVATIVES THEREOF, METHODS FOR MAKING SUCH ADDUCTS AND DERIVATIVES, AND METHODS FOR USING SUCH ADDUCTS AND DERIVATIVES RHODIA OPERATIONS (FR) 2013-06-27 US disclosed
EP-2603075-A2 AGRICULTURAL PESTICIDE COMPOSITIONS Rhodia Operations (FR) 2013-06-19 EP disclosed
US-20130123104-A1 Adjuvant Compositions, Agricultural Pesticide Compositions, and Methods for Making and Using Such Compositions RHODIA OPERATIONS (FR) 2013-05-16 US disclosed
WO-2012021164-A2 AGRICULTURAL PESTICIDE COMPOSITIONS RHODIA OPERATIONS (FR) 2012-02-16 WO disclosed
US-20120040833-A1 Agricultural pesticide compositions RHODIA OPERATIONS (FR) 2012-02-16 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 (7 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-20150181862-A1 AGRICULTURAL PESTICIDE COMPOSITIONS PLD2, PLD1, ADH1C ALDH1A1 866/4885CYP19A1 500/4885PPARG 178/4885
US-20130123104-A1 Adjuvant Compositions, Agricultural Pesticide Compositions, and Methods for Making and Using Such Compositions SGMS1, CHRM3, CHRM2 ALDH1A1 3009/4885CYP19A1 99/4885PPARG 33/4885
US-20140113827-A1 AGRICULTURAL PESTICIDE COMPOSITIONS SGMS2, DDT, SGMS1 ALDH1A1 3968/4885CYP19A1 250/4885PPARG 71/4885
US-10259987-B2 Amine adducts, derivatives thereof, methods for making such adducts and derivatives, and methods for using such adducts and derivatives NAAA, ABHD5, DGAT2 ALDH1A1 471/4885CYP19A1 1026/4885PPARG 549/4885
US-20120040833-A1 Agricultural pesticide compositions CYP2W1, SGMS2, SGMS1 ALDH1A1 2531/4885CYP19A1 1535/4885PPARG 486/4885
US-20130161014-A1 AMINE ADDUCTS, DERIVATIVES THEREOF, METHODS FOR MAKING SUCH ADDUCTS AND DERIVATIVES, AND METHODS FOR USING SUCH ADDUCTS AND DERIVATIVES NAAA, ABHD5, DGAT2 ALDH1A1 471/4885CYP19A1 1026/4885PPARG 549/4885
US-20180220645-A1 AGRICULTURAL ADJUVANT COMPOSITIONS AND METHODS FOR USING SUCH COMPOSITIONS PHOSPHO1, C5, SGMS1 ALDH1A1 3612/4885CYP19A1 905/4885PPARG 383/4885

“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.