SCHEMBL7975868

SCHEMBL7975868

CC(=O)OC[C@@H]1[C@@H](c2ccccc2)C1(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.42
SLC18A3 Q16572 2/20 0.40
ABCB1 P08183 2/20 0.36
SLC6A4 P31645 1/20 0.35
CACNA1D Q01668 2/20 0.35
LMNA P02545 2/20 0.34
SLC9A1 P19634 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL9198675 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL9198668 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL15715833 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL9516979 0.85 CYP3A4 (0.36) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL9516987 0.85 CYP3A4 (0.36) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL9516996 0.85 CYP3A4 (0.36) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL1982086 0.82 MAPT (0.38) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL8330356 0.82 SLC9A1 (0.44) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7959449 0.81 TSHR (0.45) TSHRALDH1A1SLC18A3ABCB1LMNA
SCHEMBL7959447 0.81 TSHR (0.45) TSHRALDH1A1SLC18A3ABCB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522648-B1 PROCESS FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND CENTRAL GLASS CO LTD (JP) 2017-05-17 EP disclosed
US-8729320-B2 Method for producing difluorocyclopropane compound CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-8729320-B2 Method for producing difluorocyclopropane compound CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-20 US disclosed
EP-2522648-A1 PROCESS FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND Central Glass Company, Limited (JP) 2012-11-14 EP disclosed
US-20120277458-A1 METHOD FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-01 US disclosed
US-20120277458-A1 METHOD FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-01 US disclosed
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 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 (1 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-20120277458-A1 METHOD FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND FDPS, PFAS, FDFT1 HTR2A 3410/4885HTR2C 3561/4885HTR2B 3154/4885

“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.