SCHEMBL7715035

SCHEMBL7715035

CCCCCN1CCC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.46
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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 0.98 HTR1A (0.48) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL21047906 0.98 HTR1A (0.48) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL21047565 0.98 HTR1A (0.48) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL1732235 0.98 HTR1A (0.48) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL21047618 0.98 HTR1A (0.48) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL8445221 0.94 ALDH1A1 (0.50) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL3888831 0.90 ABCB1 (0.46) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL3738390 0.89 ALOX5 (0.47) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL3893753 0.88 ALOX5 (0.45) ABCB1HTR1AALDH1A1THRBHPGD
SCHEMBL3883794 0.88 ALOX5 (0.45) ABCB1HTR1AALDH1A1THRBHPGD

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 9 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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed
US-4401753-A HIGH-DENSITY USABLE NEGATIVES; PHOTOPRINTING; PHOTOGRAPHIC FILMS AGFA-GEVAERT N.V. (BE) 1983-08-30 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 ABCB1 3241/4885HTR1A 3324/4885ALDH1A1 505/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS ABCB1 3241/4885HTR1A 3324/4885ALDH1A1 505/4885

“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.