SCHEMBL2011554

SCHEMBL2011554

COc1cc([O])ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4F8 P98187 1/20 0.50
CYP4A11 Q02928 1/20 0.50

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
SCHEMBL5961843 0.80 CYP3A4 (0.53) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL24049723 0.79 PGR (0.56) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL20550345 0.78 CYP1A1 (0.56) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5632975 0.78 CYP1A1 (0.79) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11962286 0.78 ACHE (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14027797 0.77 PGR (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28899573 0.77 PGR (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4392380 0.77 ESR2 (0.64) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL7194362 0.77 CYP1A1 (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11312840 0.77 CYP1A1 (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 CN disclosed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP1A1 4325/4885CYP1A2 3682/4885CYP2E1 3989/4885

“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.