SCHEMBL21047673

SCHEMBL21047673

O=C1CCCN(c2cc3ccccc3o2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.45
ATM Q13315 2/20 0.45
MAOA P21397 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
XRCC6 P12956 1/20 0.41
XRCC5 P13010 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.40
ECE1 P42892 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL21047709 0.91 PRKDC (0.47) PRKDCATMMAOANPC1RAB9A
SCHEMBL21047713 0.81 PRKDC (0.52) PRKDCATMMAOANPC1RAB9A
SCHEMBL27581467 0.81 PRKDC (0.50) PRKDCATMMAOANPC1RAB9A
SCHEMBL3512413 0.79 ALDH1A1 (0.51) PRKDCATMMAOANPC1RAB9A
SCHEMBL21047882 0.72 ELANE (0.50) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6390592 0.72 CHRNB2 (0.48) PRKDCATMMAOANPC1RAB9A
SCHEMBL3511781 0.71 PRKDC (0.44) PRKDCATMMAOANPC1RAB9A
SCHEMBL16470017 0.71 PRKDC (0.67) PRKDCATMNPC1RAB9AKMT2A
SCHEMBL21047778 0.71 NPEPPS (0.38) PRKDCATMMAPTHSD17B10ALDH1A1
SCHEMBL3237749 0.70 BCHE (0.49) PRKDCATMMAOAHSD17B10XRCC6

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
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

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 PRKDC 621/4885ATM 1296/4885MAOA 1698/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS PRKDC 621/4885ATM 1296/4885MAOA 1698/4885

“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.