SCHEMBL668055

SCHEMBL668055

COc1cc(C(=O)O)cc(OC)c1OC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
TPMT P51580 2/20 0.62
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
PKM P14618 2/20 0.60
CA3 P07451 1/20 0.60
CA5A P35218 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
PTGS2 P35354 1/20 0.56
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TUBB4A P04350 2/20 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
SCHEMBL15673397 0.89 TSHR (0.65) TSHRTPMTCA12CA1CA2
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.88 KDM4E (0.63) TSHRTPMTCA12CA1CA2
SCHEMBL1928259 0.86 LMNA (0.62) TSHRTPMTGAAALDH1A1TUBB4A
3,4,5-Triacetoxybenzoic Acid SCHEMBL10620428 0.86 KDM4E (0.61) TSHRTPMTCA12CA1CA2
3,4,5-Triacetoxybenzoic Acid SCHEMBL9491767 0.86 KDM4E (0.61) TSHRTPMTCA12CA1CA2
SCHEMBL5807605 0.85 TSHR (0.64) TSHRTPMTCA12CA1CA2
SCHEMBL9252598 0.84 TSHR (0.51) TSHRTPMTCA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.84 TPMT (0.78) TPMTCA12CA1CA2CA4
SCHEMBL23467799 0.83 TUBB1 (0.50) TSHRTPMTGAAALDH1A1TUBB4A
SCHEMBL668245 0.83 TUBB4A (0.50) TSHRTPMTGAAALDH1A1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368032-B Phenolic acid derivative compound and application thereof 大峰LS株式会社 2021-06-08 CN disclosed
US-10696623-B2 Phenolic acid derivative compound and use thereof DAEBONG LS, LTD (KR) 2020-06-30 US disclosed
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2020-04-07 US disclosed
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2020-04-07 US disclosed
US-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2019-03-21 US disclosed
US-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2019-03-21 US disclosed
US-20180362448-A1 NOVEL PHENOLIC ACID DERIVATIVE COMPOUND AND USE THEREOF DAEBONG LS, LTD (KR) 2018-12-20 US disclosed
US-10125097-B2 1- [1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives UNIVERSITAT DE BARCELONA (ES) 2018-11-13 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0421456-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-28 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5223513-A Anticholesterol agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0421456-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
US-4574066-A MELT POLYMERIZATION CATALYZED BY POTASSIUM ACETATE CELANESE CORPORATION (US) 1986-03-04 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 (5 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-20190084927-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES BDNF, GRIN1, NLN TSHR 4378/4885TPMT 282/4885CA12 2479/4885
US-10696623-B2 Phenolic acid derivative compound and use thereof TYR, COMT, PAH TSHR 4774/4885TPMT 2750/4885CA12 2562/4885
US-10611727-B2 1-[1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives BDNF, GRIN1, NLN TSHR 4378/4885TPMT 282/4885CA12 2479/4885
US-10125097-B2 1- [1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives BDNF, GRIN2A, NLN TSHR 4390/4885TPMT 200/4885CA12 2329/4885
US-20180362448-A1 NOVEL PHENOLIC ACID DERIVATIVE COMPOUND AND USE THEREOF TYR, LPO, TH TSHR 4811/4885TPMT 2970/4885CA12 2758/4885

“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.