SCHEMBL21047753

SCHEMBL21047753

O=C1CCC(Sc2c3ccccc3cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1B1 Q16678 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP3A4 P08684 1/20 0.33
USP2 O75604 1/20 0.33
PAK1 Q13153 1/20 0.33
MAPT P10636 2/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL28282295 0.80 ALDH1A1 (0.35) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL29587182 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL21049800 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL29586341 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL21047876 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL29587103 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL21047601 0.78 ALDH1A1 (0.34) MEN1KMT2ACYP1B1ALDH1A1HSD17B10
SCHEMBL29587772 0.78 CYP19A1 (0.41) MEN1KMT2AALDH1A1HSD17B10HIF1A
SCHEMBL21047629 0.78 CYP19A1 (0.41) MEN1KMT2AALDH1A1HSD17B10HIF1A
SCHEMBL28283928 0.74 BCL2 (0.34) ALDH1A1HIF1ACYP1A2KDM4EHPGD

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 MEN1 1558/4885KMT2A 543/4885CYP1B1 392/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS MEN1 1558/4885KMT2A 543/4885CYP1B1 392/4885

“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.