SCHEMBL10118317

SCHEMBL10118317

COc1ccc(CCN(C)C)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
BLM P54132 2/20 0.77
PMP22 Q01453 1/20 0.77
AOC3 Q16853 1/20 0.74
KDM4E B2RXH2 4/20 0.61
ATM Q13315 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
CA2 P00918 1/20 0.59
POLB P06746 1/20 0.58
CYP19A1 P11511 1/20 0.58
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR7 P34969 3/20 0.57
HTR1A P08908 2/20 0.57
SMPD1 P17405 1/20 0.56
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL7430428 0.89 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL7194533 0.87 BLM (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL29651387 0.87 BLM (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL9813064 0.85 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL8508740 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL18239557 0.84 CYP3A4 (0.90) CYP1A2CYP3A4CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL8508343 0.84 BLM (0.60) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL27868468 0.84 ALDH1A1 (0.62) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL3716351 0.84 GAA (0.62) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL27800147 0.84 TAAR1 (0.67) CYP1A2CYP3A4CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130084-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-04-27 US disclosed
WO-2021011778-A1 SMALL MOLECULE INHIBITORS OF KU70/80 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-01-21 WO disclosed
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 US disclosed
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 US disclosed
US-8053418-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2011-11-08 US disclosed
US-8053418-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2011-11-08 US disclosed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US disclosed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-04 US disclosed
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-04 US disclosed
EP-0142070-B1 PROCESS FOR THE PREPARATION OF N-METHYLHOMOVERATRYL AMINE BASF Aktiengesellschaft (DE) 1986-07-09 EP disclosed
EP-0142070-A1 Process for the preparation of N-methylhomoveratryl amine BASF Aktiengesellschaft (DE) 1985-05-22 EP disclosed
US-4350636-A REDUCTIVE ALKYLATION OF A SECONDARY AMINE BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 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-20100022460-A1 C-PHENYL GLYCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 CYP1A2 1108/4885CYP3A4 1126/4885CYP2D6 626/4885
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A CYP1A2 3990/4885CYP3A4 3735/4885CYP2D6 2855/4885
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A CYP1A2 3990/4885CYP3A4 3735/4885CYP2D6 2855/4885
US-20230130084-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY ALG1, CD44, CD47 CYP1A2 4854/4885CYP3A4 4817/4885CYP2D6 4758/4885

“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.