SCHEMBL3719650

SCHEMBL3719650

CC(C)Oc1ccc(CO)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.45
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XDH P47989 1/20 0.39
TTR P02766 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3723071 0.85 CSNK2A1 (0.45) CSNK2A1S1PR3S1PR5KDM4EALDH1A1
SCHEMBL3733950 0.85 KDM4E (0.36) CSNK2A1KDM4EALDH1A1TDP1TTR
SCHEMBL7043801 0.85 CSNK2A1 (0.47) CSNK2A1KDM4ETTRLMNAMEN1
SCHEMBL28293124 0.84 CSNK2A1 (0.65) CSNK2A1S1PR3S1PR5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL23162638 0.82 CSNK2A1 (0.66) CSNK2A1S1PR3S1PR5KDM4EALDH1A1
SCHEMBL8388481 0.82 POLB (0.57) CSNK2A1S1PR3S1PR5KDM4EALDH1A1
SCHEMBL10088952 0.82 RORC (0.41) S1PR3S1PR5KDM4EALDH1A1TDP1
SCHEMBL16958146 0.81 PDE4A (0.44) KDM4EALDH1A1TDP1TTRLMNA
SCHEMBL30640919 0.81 PDE4A (0.44) KDM4EALDH1A1TDP1TTRLMNA
SCHEMBL11645899 0.81 TTR (0.54) CSNK2A1KDM4EALDH1A1TDP1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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 (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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 CSNK2A1 2025/4885S1PR3 6/4885S1PR5 4/4885
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC CSNK2A1 1096/4885S1PR3 3426/4885S1PR5 3397/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 CSNK2A1 1930/4885S1PR3 6/4885S1PR5 7/4885

“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.