SCHEMBL221217

SCHEMBL221217

COc1ccccc1C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR3C2 P08235 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL221587 0.96 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL2445298 0.87 CA1 (0.55) CA1CA2CA7CA9CA12
Styrene SCHEMBL7259237 0.87 ALDH1A1 (0.42) CA1CA2CA7CA9CA12
Pyridine SCHEMBL6531369 0.86 CYP19A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL221588 0.85 NFE2L2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL30388593 0.85 NFE2L2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL11862713 0.84 CA1 (0.46) CA1CA2CA7CA9CA12
Chlorotriphenylmethane SCHEMBL27667603 0.84 NFE2L2 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8030506 0.81 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL11720565 0.80 CYP19A1 (0.46) TSHRALDH1A1TDP1NR3C2L3MBTL1

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 1038 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065461-B2 Method for preparing 3′-O-amino-2′-deoxyribonucleoside-5′-triphosphate DNA SCRIPT (FR) 2024-08-20 US claimed
CN-113549145-B Preparation method of somatostatin 浙江湃肽生物有限公司 2023-07-25 CN claimed
EP-3911660-B1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LTD (IN) 2023-05-10 EP claimed
CN-115710165-A Method for preparing 4,4' -bis (methoxy) trityl chloride by using oligonucleotide synthesis waste liquid 北京擎科生物科技有限公司 2023-02-24 CN claimed
US-11434196-B2 Process for preparation of 2-Amino-5-hydroxy propiophenone LAURUS LABS LIMITED (IN) 2022-09-06 US claimed
CN-114981285-A Synthesis of C-terminal protected fragment of peptide 深圳市健元医药科技有限公司 2022-08-30 CN claimed
CN-114524855-A Synthesis method of 5-aldehyde cytosine phosphoramidite monomer 武汉大学 2022-05-24 CN claimed
US-20220081388-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LIMITED (IN) 2022-03-17 US claimed
EP-3911660-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE Laurus Labs Limited (IN) 2021-11-24 EP claimed
CN-113549145-A Preparation method of somatostatin 浙江湃肽生物有限公司 2021-10-26 CN claimed
EP-2200658-A2 POSITRON EMISSION TOMOGRAPHY PROBES FOR IMAGING IMMUNE ACTIVATION AND SELECTED CANCERS The Regents Of The University Of California (US) 2010-06-30 EP claimed
EP-2079486-A2 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS The Board of Regents of The University of Texas System (US) 2009-07-22 EP claimed
US-20090105184-A1 POSITRON EMISSION TOMOGRAPHY PROBES FOR IMAGING IMMUNE ACTIVATION AND SELECTED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US claimed
WO-2009038795-A2 POSITRON EMISSION TOMOGRAPHY PROBES FOR IMAGING IMMUNE ACTIVATION AND SELECTED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-26 WO claimed
US-20080107598-A1 Efficient Synthesis of Chelators for Nuclear Imaging and Radiotherapy: Compositions and Applications COLIP, GREGORY RUSSELL 2008-05-08 US claimed
WO-2008045604-A2 EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-17 WO claimed
US-6326487-B1 OLIGONUCLEOTIDES, ANTISENSE AGENTS, VIRICIDES AND GENE EXPRESSION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-04 US claimed
WO-2000075154-A2 PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-12-14 WO claimed
US-4800166-A TRITYL HALIDE OR CARVOXYLATE TO BIND WITH FREE AMINO GROUPS APPLIED PROTEIN TECHNOLOGIES, INC. (US) 1989-01-24 US claimed
EP-0121112-B1 2'-DEOXY-3-PHOSPHONYLMETHYL NUCLEOSIDES AND METHOD FOR THEIR PREPARATION Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1987-05-13 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20220081388-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE DHPS, CYP3A5, CYP3A43 CA1 3963/4885CA2 4497/4885CA7 1936/4885
US-20080107598-A1 Efficient Synthesis of Chelators for Nuclear Imaging and Radiotherapy: Compositions and Applications TNNI3, CAD, TNNT2 CA1 74/4885CA2 647/4885CA7 422/4885
US-12065461-B2 Method for preparing 3′-O-amino-2′-deoxyribonucleoside-5′-triphosphate NUDT1, TYMP, DUT CA1 3876/4885CA2 3646/4885CA7 2972/4885
US-11434196-B2 Process for preparation of 2-Amino-5-hydroxy propiophenone DHPS, CYP3A5, CYP3A43 CA1 3963/4885CA2 4497/4885CA7 1936/4885
US-20090105184-A1 POSITRON EMISSION TOMOGRAPHY PROBES FOR IMAGING IMMUNE ACTIVATION AND SELECTED CANCERS PAICS, ADA, DCTD CA1 1121/4885CA2 1979/4885CA7 277/4885

“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.