SCHEMBL29494145

SCHEMBL29494145

O=Cc1cc2ccccc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
HPGD P15428 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TYR P14679 1/20 0.56
DAO P14920 1/20 0.56
AKR1B1 P15121 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
MAOB P27338 6/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA1 P00915 2/20 0.51
CA3 P07451 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL971515 1.00 CYP2A6 (0.58) CYP2A6HPGDSMN1; SMN2TYRDAO
Thiophene SCHEMBL16099946 0.90 MAOB (0.49) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL7025703 0.87 MAOB (0.55) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL31678943 0.83 HPGD (0.55) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL15226687 0.83 HPGD (0.59) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL15226969 0.83 SMN1; SMN2 (0.59) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL4121645 0.83 HPGD (0.55) CYP2A6HPGDSMN1; SMN2TYRDAO
Methylpiperazine SCHEMBL28392960 0.83 KDM4E (0.50) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL21949338 0.80 SMN1; SMN2 (0.56) CYP2A6HPGDSMN1; SMN2TYRDAO
SCHEMBL28379349 0.80 HPGD (0.51) CYP2A6HPGDSMN1; SMN2TYRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570661-B2 Isoform-specific aldehyde dehydrogenase inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2026-03-10 US disclosed
EP-4155300-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2026-02-11 EP disclosed
CN-120077031-A Prodrug kit for multitube concurrent chemotherapy 亚历克斯·祖内克 2025-05-30 CN disclosed
US-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-24 US disclosed
US-20230174537-A1 Isoform-Specific Aldehyde Dehydrogenase Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
EP-4167995-A1 ISOFORM-SPECIFIC ALDEHYDE DEHYDROGENASE INHIBITORS The Board of Trustees of the Leland Stanford Junior University (US) 2023-04-26 EP disclosed
EP-4155300-A1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2023-03-29 EP disclosed
US-20230079399-A1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS THE US SECRETARY DEPARTMENT OF H (US) 2023-03-16 US disclosed
US-11505559-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2022-11-22 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115215891-A Trimeric indenyl bridged perylene diimide-coumarin-boron dipyrrole star compound and preparation method thereof 南京林业大学 2022-10-21 CN disclosed
CN-110650961-B PARP inhibitor, pharmaceutical composition, preparation method and application thereof 广州丹康医药生物有限公司 2022-09-27 CN disclosed
US-20220133668-A1 ISOTOPICALLY MODIFIED COMPONENTS AND THERAPEUTIC USES THEREOF BIOJIVA LLC 2022-05-05 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 (6 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-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors ALDH1A1, ALDH1A2, ALDH1B1 CYP2A6 763/4885HPGD 189/4885SMN1; SMN2 4067/4885
US-12570661-B2 Isoform-specific aldehyde dehydrogenase inhibitors ALDH3A1, ALDH1A1, ALDH1B1 CYP2A6 245/4885HPGD 82/4885SMN1; SMN2 1517/4885
US-20230079399-A1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS ALDH1A1, ALDH1A2, ALDH2 CYP2A6 876/4885HPGD 98/4885SMN1; SMN2 4489/4885
US-11505559-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors ALDH1A1, ALDH1A2, ALDH1B1 CYP2A6 763/4885HPGD 189/4885SMN1; SMN2 4067/4885
US-20220133668-A1 ISOTOPICALLY MODIFIED COMPONENTS AND THERAPEUTIC USES THEREOF ACADM, CPT1A, ALDH2 CYP2A6 137/4885HPGD 139/4885SMN1; SMN2 1258/4885
US-20230174537-A1 Isoform-Specific Aldehyde Dehydrogenase Inhibitors ALDH3A1, ALDH1A1, ALDH1B1 CYP2A6 882/4885HPGD 68/4885SMN1; SMN2 2007/4885

“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.