SCHEMBL4396576

SCHEMBL4396576

O=C(O)NCC1CCC(CNC(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL217411 1.00
SCHEMBL4396572 1.00 CYP2D6 (0.63) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4316280 0.97
SCHEMBL5519295 0.91 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL481633 0.91 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL3648058 0.91 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL1118505 0.91 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL14718558 0.91 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL8396255 0.90
SCHEMBL3133945 0.90 CYP2D6 (0.77) CYP2D6TDP1EPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594147-B2 Curable composition for use in a high temperature lithography-based photopolymerization process and method of producing crosslinked polymers therefrom ALIGN TECHNOLOGY, INC. (US) 2026-04-07 US disclosed
US-20250197658-A1 ANTIOXIDANT STABILIZERS FOR DIRECT FABRICATION OF ORTHODONTIC APPLIANCES ALIGN TECHNOLOGY, INC. 2025-06-19 US disclosed
EP-4272962-A2 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM Align Technology, Inc. (US) 2023-11-08 EP disclosed
EP-3564282-B1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM ALIGN TECHNOLOGY INC (US) 2023-06-07 EP disclosed
US-11542362-B2 Curable composition for use in a high temperature lithography-based photopolymerization process and method of producing crosslinked polymers therefrom ALIGN TECHNOLOGY, INC. (US) 2023-01-03 US disclosed
US-10954334-B2 2021-03-23 US disclosed
US-20200040130-A1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE LITHOGRAPHY-BASED PHOTOPOLYMERIZATION PROCESS AND METHOD OF PRODUCING CROSSLINKED POLYMERS THEREFROM ALIGN TECHNOLOGY, INC. 2020-02-06 US disclosed
EP-3564282-A1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM Align Technology, Inc. (US) 2019-11-06 EP disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 CYP2D6 1817/4885TDP1 4840/4885EPHX1 959/4885
US-12594147-B2 Curable composition for use in a high temperature lithography-based photopolymerization process and method of producing crosslinked polymers therefrom MACF1, DYNC1LI2, DYNLL2 CYP2D6 3814/4885TDP1 1835/4885EPHX1 4155/4885

“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.