SCHEMBL13930293

SCHEMBL13930293

CNCc1ccc(COC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
NCF1 P14598 2/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HTR7 P34969 4/20 0.42
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL2504209 0.82 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL134443 0.82 IDO1 (0.46) LMNATP53ACACB
SCHEMBL18745617 0.81 NOS1 (0.46) NOS3NOS1NOS2HTR7HTR1A
SCHEMBL11310162 0.79 ESR1 (0.48) CYP3A4ALDH1A1LMNATP53ACACB
SCHEMBL8020885 0.79 ESR1 (0.48) CYP3A4ALDH1A1LMNATP53ACACB
Hydrochloric Acid SCHEMBL30925271 0.79 KDM4E (0.74) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL18878186 0.79 HTR7 (0.50) KDM4ECYP3A4MAPTNOS3NOS1
SCHEMBL30229907 0.77 LOXL2 (0.47) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL14838567 0.77 LOXL2 (0.47) LOXL2KDM4ECYP3A4MAPTNCF1
Methyl Alcohol SCHEMBL28236652 0.76 IDO1 (0.42) ALDH1A1LMNATP53ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 US disclosed
WO-2021155050-A1 KINASE MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2021-08-05 WO disclosed
WO-2021119571-A1 PDE4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2021-06-17 WO disclosed
WO-2021051034-A1 RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2021-03-18 WO disclosed
US-8741283-B2 Adenosine deaminase anticancer therapy SIGMA-TAU RARE DISEASES, S.A. (PT) 2014-06-03 US disclosed
US-8741283-B2 Adenosine deaminase anticancer therapy SIGMA-TAU RARE DISEASES, S.A. (PT) 2014-06-03 US disclosed
US-20090047270-A1 ENZYMATIC ANTICANCER THERAPY ENZON PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20080125363-A1 Polymer-Linked Pseudomonas Exotoxin Immunotoxin ENZON PHARMACEUTICALS INC. (US) 2008-05-29 US disclosed
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers ENZON PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers ENZON PHARMACEUTICALS, INC. 2007-07-19 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 (4 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-20090047270-A1 ENZYMATIC ANTICANCER THERAPY RNASE1, ADA, DCTD LOXL2 1138/4885KDM4E 2410/4885CYP3A4 1061/4885
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers CD44, PAICS, ALG1 LOXL2 967/4885KDM4E 3300/4885CYP3A4 2002/4885
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 LOXL2 171/4885KDM4E 3790/4885CYP3A4 4663/4885
US-20080125363-A1 Polymer-Linked Pseudomonas Exotoxin Immunotoxin CD47, SPG11, ALG1 LOXL2 3601/4885KDM4E 3924/4885CYP3A4 4067/4885

“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.