SCHEMBL599191

SCHEMBL599191

Cc1cc2ccccc2c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.62
CYP2A6 P11509 5/20 0.62
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 1/20 0.54
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
TRPM4 Q8TD43 1/20 0.52
HPRT1 P00492 1/20 0.50
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NQO2 P16083 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
SCHEMBL9038677 0.84 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598522 0.83 HPRT1 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL2003459 0.83 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL31235727 0.83 HPRT1 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL8562301 0.81 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL599080 0.81 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL27643109 0.81 ALDH1A1 (0.45) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598701 0.80 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL597667 0.80 ALDH1A1 (0.68) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL18643640 0.79 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116106458-B Method for quantitatively recovering gamma-paraffin index of high-ripeness crude oil 中国石油化工股份有限公司 2025-03-28 CN claimed
CN-116106458-A Method for quantitatively recovering gamma-paraffin index of high-ripeness crude oil 中国石油化工股份有限公司 2023-05-12 CN claimed
US-11029303-B2 PAH antibodies and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-06-08 US claimed
CN-111999409-A Fingerprint identification method for heavy fuel oil and crude oil of ship 中国科学院烟台海岸带研究所 2020-11-27 CN claimed
CN-106855547-B Evaluation method and device for shale oil maturity 中国石油天然气股份有限公司 2019-06-11 CN claimed
CN-106855547-A Evaluation method and device for shale oil maturity 中国石油天然气股份有限公司 2017-06-16 CN claimed
WO-2016196638-A2 PAH ANTIBODIES AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-12-08 WO claimed
CN-104678018-B Crude oil quality fraction maturity evaluation method 中国石油天然气股份有限公司 2016-06-08 CN claimed
CN-104678018-A Crude oil quality fraction maturity evaluation method PETROCHINA CO LTD 2015-06-03 CN claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
WO-2008048448-A2 HEATING AN ORGANIC-RICH ROCK FORMATION IN SITU TO PRODUCE PRODUCTS WITH IMPROVED PROPERTIES EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2008-04-24 WO claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
CN-120126613-A Oil source comparison method and device based on multivariate statistical analysis 中国地质大学(武汉) 2025-06-10 CN disclosed
CN-116106458-B Method for quantitatively recovering gamma-paraffin index of high-ripeness crude oil 中国石油化工股份有限公司 2025-03-28 CN disclosed
US-4443321-A Supercritical solvent coal extraction THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1984-04-17 US disclosed
US-4171366-A 1-Naphthothienylalkyl-1H-imidazoles CIBA-GEIGY CORPORATION (US) 1979-10-16 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 (2 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-11029303-B2 PAH antibodies and uses thereof PAH, AHR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 567/4885CYP2A6 1092/4885ALDH1A1 1506/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 244/4885CYP2A6 73/4885ALDH1A1 239/4885

“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.