SCHEMBL3658447

SCHEMBL3658447

CC(=O)c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.50
TMPRSS4 Q9NRS4 1/20 0.49
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.42
TGM2 P21980 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DYRK1A Q13627 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
PIM1 P11309 1/20 0.41
HTT P42858 2/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2325383 0.86 ALDH1A1 (0.64) MAOAMAOBALDH1A1CYP3A4HPGD
SCHEMBL4634307 0.85 CA12 (0.59) P2RX1TMPRSS4ALDH1A1EPHX2HTT
SCHEMBL5158858 0.84 P2RX1 (0.48) P2RX1TMPRSS4ALDH1A1EPHX2AKR1C2
SCHEMBL1505143 0.84 AKR1C2 (0.52) P2RX1ALDH1A1CYP3A4HPGDAKR1C2
SCHEMBL5158868 0.84 AKR1C2 (0.52) P2RX1ALDH1A1CYP3A4HPGDAKR1C2
SCHEMBL29858917 0.83 P2RX1 (0.51) P2RX1TMPRSS4ALDH1A1EPHX2WDR5
SCHEMBL29786514 0.83 ABL1 (0.46) P2RX1MAOAMAOBEPHX2TGM2
SCHEMBL9372777 0.83 P2RX1 (0.47) P2RX1TMPRSS4ALDH1A1HPGDEPHX2
SCHEMBL17480164 0.83 ABL1 (0.46) P2RX1MAOAMAOBEPHX2TGM2
SCHEMBL28783326 0.82 HMGCR (0.45) P2RX1TMPRSS4ALDH1A1HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
EP-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 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-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 P2RX1 3408/4885TMPRSS4 2693/4885MAOA 4359/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB P2RX1 3858/4885TMPRSS4 2636/4885MAOA 3816/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 P2RX1 170/4885TMPRSS4 1659/4885MAOA 2192/4885

“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.