SCHEMBL9949401

SCHEMBL9949401

CC(CCc1ccccc1C1OCCO1)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
EPHX2 P34913 2/20 0.30
TSHR P16473 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
SCHEMBL9949746 0.92 ALDH1A1 (0.33) ALDH1A1HTTPKMCTDSP1EPHX2
SCHEMBL9951362 0.86 METAP2 (0.31) ALDH1A1HTTPKMCTDSP1
SCHEMBL9950624 0.84 PKM (0.33) ALDH1A1HTTPKMCTDSP1TSHR
SCHEMBL9952108 0.76 PKM (0.33) ALDH1A1HTTPKMCTDSP1
SCHEMBL9950722 0.76 SHBG (0.32) PKMCTDSP1TSHR
SCHEMBL9950630 0.76 CEL (0.43) HTTTSHR
SCHEMBL16191445 0.75 HTT (0.54) ALDH1A1HTTEPHX2TSHR
SCHEMBL11596342 0.74 HRH3 (0.46) ALDH1A1HTT
SCHEMBL9949872 0.73 CEL (0.46)
SCHEMBL9950873 0.72 CEL (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748078-B2 Cyclic compound, process for preparation thereof, radiation-sensitive composition, and method for formation of resist pattern MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2476662-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-18 EP disclosed
US-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-06-28 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 (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-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN RAD1, RER1, REV1 ALDH1A1 1204/4885HTT 4828/4885PKM 1608/4885

“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.