SCHEMBL21047732

SCHEMBL21047732

O=C1CCCN(c2c[nH]c3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 6/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2A6 P11509 1/20 0.39
IMPDH2 P12268 1/20 0.39
POLB P06746 2/20 0.39
HTR1A P08908 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL21047574 0.91 CYP2A6 (0.41) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL21047718 0.81 BCHE (0.42) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL2782013 0.81 LMNA (0.51) RAB9ALMNAKDM4EMAPTKMT2A
SCHEMBL1413377 0.79 HTT (0.54) ALDH1A1RAB9ALMNAKDM4EMAPT
Hydrochloric Acid SCHEMBL11852231 0.78 JAK2 (0.55) RAB9ALMNAKDM4EMAPTKMT2A
SCHEMBL6407264 0.77 LMNA (0.51) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL16801594 0.77 PIM1 (0.44) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL16801693 0.77 SIRT2 (0.40) LMNAHTTPOLBHTR6BCHE
SCHEMBL20995833 0.76 SMN1; SMN2 (0.49) ALDH1A1PKMSMN1; SMN2RAB9ALMNA
SCHEMBL21047805 0.74 HTR1A (0.50) ALDH1A1PKMLMNAKDM4EMAPT

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
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

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 ALDH1A1 505/4885PKM 18/4885SMN1; SMN2 4623/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS ALDH1A1 505/4885PKM 18/4885SMN1; SMN2 4623/4885

“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.