SCHEMBL1732235

SCHEMBL1732235

CCCCCCCCN1CCC(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
ABCB1 P08183 1/20 0.47
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
MGLL Q99685 3/20 0.43
FAAH O00519 2/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41

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
SCHEMBL21047883 1.00 HTR1A (0.48) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL21047906 1.00 HTR1A (0.48) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL21047618 1.00 HTR1A (0.48) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL21047565 1.00 HTR1A (0.48) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL7715035 0.98 ABCB1 (0.49) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL8445221 0.92 ALDH1A1 (0.50) HTR1AABCB1ALDH1A1THRBHPGD
SCHEMBL3889867 0.90 ALOX5 (0.45) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL3885091 0.90 ALOX5 (0.45) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL3893753 0.90 ALOX5 (0.45) HTR1AABCB1ALOX5ALDH1A1CYP1A2
SCHEMBL3883794 0.90 ALOX5 (0.45) HTR1AABCB1ALOX5ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN disclosed
EP-1789525-B1 PREMOISTENED DISPOSABLE WIPE PROCTER & GAMBLE (US) 2011-11-23 EP disclosed
EP-1920043-A1 MOISTENED DISPOSABLE WIPE FOR CONTROLLING ALLERGENS The Procter and Gamble Company (US) 2008-05-14 EP disclosed
EP-1789525-A1 PREMOISTENED DISPOSABLE WIPE The Procter and Gamble Company (US) 2007-05-30 EP disclosed
WO-2007027904-A1 MOISTENED DISPOSABLE WIPE FOR CONTROLLING ALLERGENS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
US-20070037721-A1 Moistened disposable wipe for controlling allergens THE PROCTER & GAMBLE COMPANY (US) 2007-02-15 US disclosed
WO-2006028912-A1 PREMOISTENED DISPOSABLE WIPE THE PROCTER & GAMBLE COMPANY (US) 2006-03-16 WO disclosed
US-20060052269-A1 Premoistened disposable wipe PROCTER & GAMBLE COMPANY, THE 2006-03-09 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 (2 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HTR1A 3324/4885ABCB1 3241/4885ALOX5 1539/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HTR1A 3324/4885ABCB1 3241/4885ALOX5 1539/4885

“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.