SCHEMBL19172002

SCHEMBL19172002

CCCC(C)(C)OCCN

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FDPS P14324 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
SCHEMBL13202552 0.95
SCHEMBL5699289 0.81 ALDH1A1 (0.30)
SCHEMBL26751564 0.81
Ethylenediamine SCHEMBL5701197 0.80 LMNA (0.30) LMNAHSD17B10FDPS
SCHEMBL21095351 0.80 ODC1 (0.32) KIF11
SCHEMBL14616012 0.80 KIF11 (0.31) KIF11
SCHEMBL5932610 0.79
SCHEMBL23084030 0.78 KIF11 (0.30) KIF11
SCHEMBL17210648 0.78 KIF11 (0.30) KIF11
SCHEMBL14450206 0.78 KIF11 (0.30) KIF11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666761-A1 PREPARATION, RAW MATERIALS, PRODUCT, AND APPLICATION OF PHOTOCROSSLINKED HYDROGEL MATERIAL Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2020-06-17 EP disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 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 (1 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 KIF11 3072/4885LMNA 3991/4885HSD17B10 1385/4885

“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.