SCHEMBL4610461

SCHEMBL4610461

CC(C)(O)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 1/20 0.55
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
NR3C1 P04150 1/20 0.45
CASR P41180 6/20 0.45
SIGMAR1 Q99720 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44
IDO1 P14902 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL808935 0.88 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL19341333 0.83 CYP2A6 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL10580788 0.82 HTR2A (0.50) CYP1A2CYP2A6HTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL27962083 0.82 CYP2A6 (0.57) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL17025295 0.81 CYP1A2 (0.52) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL24080507 0.80 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL1510917 0.80 SLC6A2 (0.57) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL24618315 0.80 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL8852223 0.80 CYP2A6 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL27962086 0.80 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2023-02-21 US disclosed
US-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2022-01-06 US disclosed
US-20190194242-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2019-06-27 US disclosed
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2019-02-05 US disclosed
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
EP-1288203-B1 Cyclic nitrones and pharmaceutical compositions containing them AVENTIS PHARMA INC (US) 2005-04-20 EP disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP disclosed
EP-1288203-A1 Cyclic nitrones and pharmaceutical compositions containing them Aventis Pharmaceuticals Inc. (US) 2003-03-05 EP disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 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 (6 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-20190194242-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 CYP1A2 4829/4885CYP2A6 4283/4885HTR2A 4428/4885
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 CYP1A2 4829/4885CYP2A6 4283/4885HTR2A 4428/4885
US-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 CYP1A2 4829/4885CYP2A6 4283/4885HTR2A 4428/4885
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 CYP1A2 4829/4885CYP2A6 4283/4885HTR2A 4428/4885
US-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL CYP1A2 1943/4885CYP2A6 236/4885HTR2A 2300/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR CYP1A2 2060/4885CYP2A6 159/4885HTR2A 1877/4885

“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.