SCHEMBL12231

SCHEMBL12231

COc1cc(C)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ACHE P22303 3/20 0.44
CYP3A4 P08684 3/20 0.41
AHR P35869 1/20 0.41
PTPN1 P18031 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
Phosphonic Acid SCHEMBL9017640 0.88 ALDH1A1 (0.40) ALDH1A1ACHECYP3A4AHRPTPN1
SCHEMBL811578 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4AHRMAPTHPGD
SCHEMBL21263 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4AHRCYP1A1CYP1B1
SCHEMBL28298270 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4AHRCYP1A1CYP1B1
SCHEMBL1816933 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4AHRCYP1A1CYP1B1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4AHRPTPN1
SCHEMBL145855 0.81 ALDH1A1 (0.62) ALDH1A1ACHECYP3A4PTPN1KDM4E
SCHEMBL29587173 0.78 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4PTPN1KDM4E
SCHEMBL13667485 0.76 GRM5 (0.54) TDP1
SCHEMBL3541751 0.76 RAPGEF4 (0.32) ALDH1A1CYP3A4MAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113511960-A Synthesis method of 1-chloro-3-methoxy-5-methylbenzene 郑州华赞医药科技有限公司 2021-10-19 CN claimed
US-12398136-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors VENTUS THERAPEUTICS U.S., INC. (US) 2025-08-26 US disclosed
US-12331048-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors VENTUS THERAPEUTICS U.S., INC. (US) 2025-06-17 US disclosed
US-12312351-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors VENTUS THERAPEUTICS U.S., INC. (US) 2025-05-27 US disclosed
EP-4499638-A1 PYRIDO-[3,4-D]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 DERIVATIVES Ventus Therapeutics U.S., Inc. (US) 2025-02-05 EP disclosed
US-20240409540-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U S INC (US) 2024-12-12 US disclosed
US-20240383896-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. 2024-11-21 US disclosed
US-20240360130-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. 2024-10-31 US disclosed
US-20240174661-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. 2024-05-30 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 (10 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-20240383896-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-12331048-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-20240360130-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 3588/4885ACHE 4720/4885CYP3A4 755/4885
US-12398136-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-20240174661-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ALDH1A1 3748/4885ACHE 3993/4885CYP3A4 3840/4885
US-20240409540-A1 PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 ALDH1A1 3381/4885ACHE 4648/4885CYP3A4 2509/4885
US-12312351-B2 Pyrido-[3,4-d]pyridazine amine derivatives useful as NLRP3 inhibitors NLRP3, NLRP1, NOD1 ALDH1A1 3611/4885ACHE 4698/4885CYP3A4 809/4885
US-20080200433-A1 Molecular Chaperone Function Regulator HSPBP1, HSF1, HSPH1 ALDH1A1 2634/4885ACHE 4665/4885CYP3A4 3953/4885

“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.