SCHEMBL169808

SCHEMBL169808

Cc1ccc2c(c1)OCCN2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
GAA P10253 2/20 0.73
HSD17B10 Q99714 2/20 0.73
MAPT P10636 1/20 0.73
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
TRPV1 Q8NER1 1/20 0.40
MMP12 P39900 1/20 0.39
QPCT Q16769 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
FABP6 P51161 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
AR P10275 1/20 0.36
BRD4 O60885 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL30436962 1.00 ALDH1A1 (0.73) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL29429215 0.89 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL29429217 0.89 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL8267672 0.89 ALDH1A1 (0.59) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL16541197 0.87 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL13189508 0.86 MAPT (0.60) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL30431607 0.85 ALDH1A1 (1.00) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL2933658 0.85 ALDH1A1 (1.00) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL12387727 0.84 GAA (0.58) ALDH1A1GAAHSD17B10MAPTKDM4E
Hydrochloric Acid SCHEMBL3112093 0.83 ALDH1A1 (0.96) ALDH1A1GAAHSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692071-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS TOKUYAMA CORPORATION (JP) 2026-02-11 EP disclosed
WO-2024202086-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASS 株式会社トクヤマ 2024-10-03 WO disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2023179078-A1 IMIDAZO [1,2-A] PYRAZINE OR PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVE AND USE THEREOF 腾讯科技(深圳)有限公司 2023-09-28 WO disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
US-20230139171-A1 SYSTEM AND METHOD FOR INSTRUCTING ONE OR MORE WEATHER DRONES SITA INFORMATION NETWORKING COMPUTING UK LIMITED (GB) 2023-05-04 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20060100202-A1 Novel compounds SMITHKLINE BEECHAM PLC (GB) 2006-05-11 US disclosed
EP-1474403-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-11-10 EP disclosed
WO-2003053945-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-03 WO disclosed
US-4288589-A Cationic dyes CIBA-GEIGY CORPORATION (US) 1981-09-08 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 (9 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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 ALDH1A1 463/4885GAA 200/4885HSD17B10 997/4885
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB ALDH1A1 1284/4885GAA 2891/4885HSD17B10 1169/4885
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ALDH1A1 1720/4885GAA 1552/4885HSD17B10 3912/4885
US-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 ALDH1A1 1363/4885GAA 2486/4885HSD17B10 4304/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALDH1A1 605/4885GAA 3626/4885HSD17B10 633/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ALDH1A1 3742/4885GAA 598/4885HSD17B10 3808/4885
US-20060100202-A1 Novel compounds F12, REN, AVPR2 ALDH1A1 1317/4885GAA 1602/4885HSD17B10 1500/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885GAA 1095/4885HSD17B10 347/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ALDH1A1 1553/4885GAA 3500/4885HSD17B10 516/4885

“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.