SCHEMBL14945003

SCHEMBL14945003

CC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
MME P08473 5/20 0.54
ACE P12821 4/20 0.54
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 1/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL12191624 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL14032460 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL17679171 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL16743957 0.86 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL13126117 0.86 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL26178695 0.86 HTR2A (0.59) HTR2AHTR2CHTR2BMMEACE
SCHEMBL4319903 0.86 FFAR4 (0.51) MMEACECPA1ACE2
SCHEMBL8102861 0.85 HTR2A (0.57) HTR2AHTR2CHTR2BMMEACE
SCHEMBL13209550 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BMMEACE
SCHEMBL20067117 0.85 HTR2A (0.57) HTR2AHTR2CHTR2BMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248997-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR COVID-19 Hiroshima University (JP) 2023-09-27 EP disclosed
US-10280238-B2 Transition metal compound, catalyst composition comprising same, and method for producing olefin polymer using same LG CHEM, LTD. (KR) 2019-05-07 US disclosed
US-20180105616-A1 TRANSITION METAL COMPOUND, CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING SAME LG CHEM, LTD. (KR) 2018-04-19 US disclosed
US-20180105616-A1 TRANSITION METAL COMPOUND, CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING SAME LG CHEM, LTD. (KR) 2018-04-19 US disclosed
US-8980581-B2 Site-specific incorporation of amino acids into molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-17 US disclosed
US-20140045261-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-13 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP HTR2A 4707/4885HTR2C 4758/4885HTR2B 4778/4885
US-10280238-B2 Transition metal compound, catalyst composition comprising same, and method for producing olefin polymer using same NOTUM, SOAT2, SOAT1 HTR2A 4861/4885HTR2C 4843/4885HTR2B 4790/4885

“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.