SCHEMBL2236262

SCHEMBL2236262

CCCCCC1(C=O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CETP P11597 3/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
EPHX1 P07099 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 1/20 0.30
ACP1 P24666 1/20 0.30
CDC25B P30305 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
SCHEMBL11503129 0.98 TSHR (0.38) TSHRCETPSIRT2EPHX1ADH1B
SCHEMBL9646862 0.98 TSHR (0.38) TSHRCETPSIRT2EPHX1ADH1B
SCHEMBL28756563 0.98 TSHR (0.36) TSHRCETPSIRT2EPHX1ADH1B
SCHEMBL9173367 0.93 CETP (0.33) TSHRCETPADH1BADH1CADH1A
SCHEMBL22098328 0.93 TSHR (0.36) TSHRSIRT2EPHX1ADH1BADH1C
SCHEMBL31076221 0.91 TSHR (0.35) TSHRCETPEPHX1ADH1BADH1C
SCHEMBL3193317 0.89 TSHR (0.39) TSHRSIRT2EPHX1ADH1BADH1C
SCHEMBL3188358 0.86 TSHR (0.42) TSHRSIRT2EPHX1ADH1BADH1C
SCHEMBL1326477 0.86 TSHR (0.35) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL3181124 0.86 TSHR (0.42) TSHRSIRT2EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108603960-A Method of manufacturing optical articles with ink jet printing apparatus 光学转变有限公司 2018-09-28 CN disclosed
CN-108351451-A Optical article having gradient light influencing properties and method of making same 光学转变公司 2018-07-31 CN disclosed
CN-108349177-A Method of making an optical article having gradient light influencing properties 光学转变公司 2018-07-31 CN disclosed
CN-108351446-A Optical article and method of making the same 光学转变公司 2018-07-31 CN disclosed
EP-2528907-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES Allergan, Inc. (US) 2012-12-05 EP disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 US disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 US disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 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 (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-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES TUBB6, ANXA5, TUBB1 TSHR 4009/4885CETP 264/4885SIRT2 2642/4885

“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.