SCHEMBL4170126

SCHEMBL4170126

CCCCC1CCC(C2CCC(OC=O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
NAAA Q02083 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4159832 0.95 CYP1A2 (0.37) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL1893345 0.95 CYP1A2 (0.47) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL4159287 0.89 TLR4 (0.35) HPGDCYP2C9
SCHEMBL504003 0.89 CYP1A2 (0.41) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL5862504 0.88 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8975284 0.88 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL1896640 0.88 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL11290481 0.88 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8735525 0.86 CYP1A2 (0.36) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL6278928 0.83 HPGD (0.34) CYP1A2NAAALMNAMAPTHPGD

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
CN-105916894-A Polymerizable compound, polymerizable composition, film and half mirror for displaying projected image 富士胶片株式会社 2016-08-31 CN disclosed
US-8293146-B2 Optical film and phase difference plate, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-10-23 US disclosed
US-20090159857-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2009-06-25 US disclosed
WO-2007091716-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2007-08-16 WO 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-20090159857-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND NOM1, CRYZ, CNN2 CYP1A2 3757/4885NAAA 3924/4885HTT 4198/4885

“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.