SCHEMBL12846342

SCHEMBL12846342

Cc1cccc2c(O)ncnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SSTR4 P31391 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL24473459 0.87 CYP1A2 (0.46) PARP1HTR1AADRA1DADRA1AADRA1B
Ethoxycarbonyl Group SCHEMBL27863139 0.82 KDM4E (0.39) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL16433258 0.79 KDM4E (0.48) ADRA1ACYP1A2KMT2AMEN1ALDH1A1
SCHEMBL8404378 0.79 PARP1 (0.47) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL3507559 0.77 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL8974755 0.76 NR4A2 (0.47) PARP1HTR1ACYP1A2CYP2A6KMT2A
SCHEMBL28534676 0.76 PARP1 (0.44) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL22221946 0.76 PARP1 (0.44) PARP1SSTR4KDM4EMAPTAURKA
SCHEMBL3763540 0.76 PDE4A (0.48) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL10292144 0.76 KDM4E (0.31) KMT2AMEN1HTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651054-B Steroid compound, application and preparation method thereof 成都康弘药业集团股份有限公司 2024-06-21 CN disclosed
CN-116589521-A Steroid compound, application and preparation method thereof 成都康弘药业集团股份有限公司 2023-08-15 CN disclosed
CN-116425819-A Steroid compound, application and preparation method thereof 成都康弘药业集团股份有限公司 2023-07-14 CN disclosed
CN-116059215-A Steroid compound, application and preparation method thereof 成都康弘药业集团股份有限公司 2023-05-05 CN disclosed
US-20220089637-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR Chengdu kanghong pharmaceutical co ltd (CN) 2022-03-24 US disclosed
US-20220013735-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-01-13 US disclosed
EP-3909967-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR Chengdu Kanghong Pharmaceutical Group Co., Ltd. (CN) 2021-11-17 EP disclosed
WO-2020143640-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR 成都康弘药业集团股份有限公司 2020-07-16 WO disclosed
US-9822108-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-11-21 US disclosed
US-9822108-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-11-21 US disclosed
US-20140350024-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2014-11-27 US disclosed
US-20140350024-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2014-11-27 US disclosed
WO-2013106756-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-18 WO disclosed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 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 (4 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-20220013735-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXA1L, ICOSLG, ODC1 PARP1 1456/4885HTR1A 3920/4885ADRA1D 742/4885
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN PARP1 2928/4885HTR1A 2702/4885ADRA1D 2707/4885
US-20220089637-A1 STEROID COMPOUND, AND USE THEREOF AND PREPARATION METHOD THEREFOR CYP11B1, CYP4A11, CYP11B2 PARP1 4434/4885HTR1A 1317/4885ADRA1D 1628/4885
US-20140350024-A1 ANTIMICROBIAL AGENTS XDH, CXCL8, TLR8 PARP1 2454/4885HTR1A 4624/4885ADRA1D 2491/4885

“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.