SCHEMBL21047746

SCHEMBL21047746

O=C1CCC(Nc2ccc3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.57
CRBN Q96SW2 1/20 0.57
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
NCF1 P14598 1/20 0.47
MCHR1 Q99705 1/20 0.44
PDE10A Q9Y233 7/20 0.44
CXCR3 P49682 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL29586298 1.00 DDB1 (0.57) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL31620776 0.87 NCF1 (0.57) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL29911218 0.83 MCHR1 (0.57) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL24092000 0.83 MCHR1 (0.57) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL16666168 0.83 NPC1 (0.56) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL9056686 0.82 NPC1 (0.59) DDB1CRBNNPC1RAB9ANCF1
Hydrochloric Acid SCHEMBL8852766 0.81 NPC1 (0.57) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL28283942 0.80 KDM4E (0.45) NPC1RAB9ACXCR3KDM4ELMNA
SCHEMBL7698523 0.79 NPC1 (0.49) DDB1CRBNNPC1RAB9ANCF1
SCHEMBL5943499 0.79 NCF1 (0.49) DDB1CRBNNPC1RAB9ANCF1

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 DDB1 4487/4885CRBN 1845/4885NPC1 1884/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS DDB1 4487/4885CRBN 1845/4885NPC1 1884/4885

“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.