SCHEMBL343532

SCHEMBL343532

CC(CN)CNCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
THPO P40225 2/20 0.50
CA3 P07451 2/20 0.50
CA1 P00915 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MTOR P42345 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL12638433 0.93 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL13100404 0.88
SCHEMBL13602599 0.88 CA12 (0.43) CA12CA2CA4CA6CA5A
SCHEMBL8863209 0.84 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL21799794 0.84 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL11552695 0.83 ANPEP (0.49) TSHR
SCHEMBL8508565 0.83 ANPEP (0.49) TSHR
SCHEMBL11557774 0.83 ANPEP (0.49) TSHR
SCHEMBL11556054 0.83 ANPEP (0.49) TSHR
SCHEMBL21799727 0.83 CA12 (0.46) CA12CA2CA4CA6CA5A

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
CN-106132402-A Pharmaceutical product for the prevention and treatment of progressive myopia 伊万·德米崔伊维奇·扎哈洛夫 2016-11-16 CN claimed
US-20220365090-A1 PEPTOID, AND ITS PREPARATION METHOD AND USE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-11-17 US disclosed
CN-106132402-A Pharmaceutical product for the prevention and treatment of progressive myopia 伊万·德米崔伊维奇·扎哈洛夫 2016-11-16 CN disclosed
US-20120015901-A1 METHODS AND PREPARATIONS FOR PROTECTING CRITICALLY ILL PATIENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-01-19 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-20120015901-A1 METHODS AND PREPARATIONS FOR PROTECTING CRITICALLY ILL PATIENTS BECN1, SQSTM1, ATG7 CA12 3941/4885CA2 3964/4885CA4 4066/4885
US-20220365090-A1 PEPTOID, AND ITS PREPARATION METHOD AND USE EPCAM, EPDR1, EPB41 CA12 267/4885CA2 695/4885CA4 761/4885

“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.