SCHEMBL1826440

SCHEMBL1826440

CC(C)OCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C19 P33261 1/20 0.51
HRH1 P35367 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL12530835 0.89 HRH1 (0.50) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL8907005 0.86 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL25610981 0.86 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL19951056 0.83 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL740172 0.81 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL172462 0.79 ALDH1A1 (0.47) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL21937567 0.79 CYP1A2 (0.40) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL2608874 0.79 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP2C19HRH1CA12
SCHEMBL30201139 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1CA12
Metyridine SCHEMBL30481621 0.79 HRH1 (0.55) CYP1A2ALDH1A1CYP2C19HRH1CA12

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-5571873-A Synthetic biodegradable polymer from o-cresol BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-05 US claimed
US-5571887-A POLYPHENYLENE ETHERS FOR BLENDING WITH THERMOPLASTIC POLYMERS BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-05 US claimed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20050227290-A1 Novel coordination complexes, and methods for preparing by combinatorial methods, assaying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-13 US disclosed
US-6806289-B1 SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-19 US disclosed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed
US-5571873-A Synthetic biodegradable polymer from o-cresol BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-05 US disclosed
US-5571887-A POLYPHENYLENE ETHERS FOR BLENDING WITH THERMOPLASTIC POLYMERS BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-05 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CYP1A2 4351/4885ALDH1A1 2917/4885CYP2C19 4448/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE CYP1A2 640/4885ALDH1A1 1243/4885CYP2C19 1989/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CYP1A2 1599/4885ALDH1A1 3174/4885CYP2C19 658/4885
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 CYP1A2 1592/4885ALDH1A1 3874/4885CYP2C19 4037/4885

“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.