SCHEMBL21047601

SCHEMBL21047601

O=C1CCC(Sc2cccc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 2/20 0.33
BCL2 P10415 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DDB1 Q16531 1/20 0.30

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
SCHEMBL21047876 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL29587182 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL21049800 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL29587103 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL29586341 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL28282295 0.98 ALDH1A1 (0.35) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL28283928 0.95 BCL2 (0.34) ALDH1A1KDM4EGAACYP19A1BCL2
SCHEMBL29587772 0.86 CYP19A1 (0.41) ALDH1A1KDM4ECYP19A1BCL2HIF1A
SCHEMBL21047629 0.86 CYP19A1 (0.41) ALDH1A1KDM4ECYP19A1BCL2HIF1A
SCHEMBL28448913 0.81 BCL2 (0.39) ALDH1A1KDM4EGAABCL2HIF1A

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 505/4885KDM4E 502/4885GAA 4156/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS ALDH1A1 505/4885KDM4E 502/4885GAA 4156/4885

“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.