SCHEMBL21047747

SCHEMBL21047747

O=C1CCC(N(c2nccc3ccccc23)c2nccc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 6/20 0.40
RPLP1 P05386 6/20 0.38
RPLP0 P05388 6/20 0.38
RPS17 P08708 6/20 0.38
RPSA P08865 6/20 0.38
RPS2 P15880 6/20 0.38
RPL35A P18077 6/20 0.38
RPL7 P18124 6/20 0.38
RPL17 P18621 6/20 0.38
RPS4Y1 P22090 6/20 0.38
RPS3 P23396 6/20 0.38
RPS12 P25398 6/20 0.38
RPL13 P26373 6/20 0.38

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
SCHEMBL29586328 1.00 DDB1 (0.43) DDB1CRBNNPC1ALDH1A1MAPT
SCHEMBL31098985 0.75 MEN1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2KCNH2
SCHEMBL29587147 0.75 DPP8 (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21047600 0.75 DPP8 (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL31098988 0.73 SLC6A2 (0.45) DDB1CRBNKCNH2RPLP1RPLP0
SCHEMBL21047735 0.72 HTR1A (0.38) ALDH1A1
SCHEMBL21047678 0.72 DDB1 (0.44) DDB1CRBNNPC1ALDH1A1MAPT
SCHEMBL29586754 0.72 DDB1 (0.44) DDB1CRBNNPC1ALDH1A1MAPT
SCHEMBL21047679 0.71 UTS2R (0.45) DDB1CRBNNPC1ALDH1A1MAPT
SCHEMBL21047726 0.71 HCRTR1 (0.47) DDB1CRBNNPC1ALDH1A1MAPT

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.