SCHEMBL736845

SCHEMBL736845

O=C(O)C(O)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.51
CNR2 P34972 2/20 0.50
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
PPARG P37231 1/20 0.43
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
POLQ O75417 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
SCHEMBL5156128 1.00 ACP3 (0.51) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL6679044 1.00 ACP3 (0.51) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL6680423 0.84 ACP3 (0.41) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL6676317 0.84 ACP3 (0.41) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL6676308 0.84 ACP3 (0.41) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL23972302 0.84 IDO1 (0.48) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL7472384 0.83 ACP3 (0.46) ACP3CNR2LMNACACNA2D1CACNA1B
SCHEMBL3130946 0.82 ACP3 (0.53) ACP3CNR2LMNAPPARGCACNA2D1
SCHEMBL28821897 0.82 ACP3 (0.53) ACP3CNR2LMNAPPARGCACNA2D1
SCHEMBL23972340 0.82 TAS2R14 (0.46) ACP3CNR2LMNAMAPK1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
CN-109689667-A Porous chiral material and use thereof 南开大学 2019-04-26 CN disclosed
EP-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 WO disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
US-6048893-A Substituted phenyl compounds with a substituent having A 1,3-benzodioxole ring RHONE-POULENC RORER LIMITED (GB) 2000-04-11 US disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4172196-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4112228-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-3985738-A ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 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 (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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 ACP3 1228/4885CNR2 4106/4885LMNA 1510/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 ACP3 846/4885CNR2 124/4885LMNA 4199/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 ACP3 2224/4885CNR2 1162/4885LMNA 219/4885

“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.