SCHEMBL3041585

SCHEMBL3041585

OB(O)c1ccnn1C1CCCCO1.c1cnn(C2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.40
CYP4A11 Q02928 5/20 0.40
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ATR Q13535 11/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL2215449 0.88 CYP4F2 (0.47) CYP4F2CYP4A11RXRARXRBRXRG
Boric Acid SCHEMBL28492132 0.84 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL320082 0.81 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL27630999 0.77 ALDH1A1 (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25405822 0.70 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29987315 0.70 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1649419 0.69 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30739025 0.69 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL2839522 0.68 CYP4F2 (0.42) CYP4F2CYP4A11ATRALDH1A1LMNA
SCHEMBL5111598 0.68 CD274 (0.40) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20100210636-A1 BENZOXAZINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2010-08-19 US disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 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-20100210636-A1 BENZOXAZINONE DERIVATIVE HAX1, CYP4X1, CYP19A1 CYP4F2 205/4885CYP4A11 50/4885RXRA 352/4885

“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.