SCHEMBL9945849

SCHEMBL9945849

Cc1cccc(C2CC(O)CC3C=CC=CC32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
ALOX15B O15296 1/20 0.32
HDAC4 P56524 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FFAR1 O14842 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
HPN P05981 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9945850 0.83 HTR2C (0.46) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL9947171 0.82 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1MEN1
SCHEMBL9945851 0.81 HTR2C (0.40) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL15393693 0.77 HTR2C (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL22263756 0.75 HTR2C (0.45) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL9945852 0.74 HTR2C (0.39) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL912610 0.66 HTR2C (0.49) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL15943752 0.66 HTR2A (0.44) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL9947173 0.66 HTR2C (0.50) HTR2CHTR2AHTR2BMAPTMAOA
SCHEMBL7002711 0.66 HTR2C (0.61) HTR2CHTR2ASLC6A4HTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-10 US disclosed
US-9422229-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-23 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20140155490-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-05 US disclosed
US-8586634-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-11-19 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20100305212-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-02 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2C 1/4885HTR2A 7/4885SLC6A4 83/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C HTR2C 1/4885HTR2A 2/4885SLC6A4 54/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2C 1/4885HTR2A 7/4885SLC6A4 83/4885
US-20140155490-A1 THERAPEUTIC COMPOUNDS HTR2C, HTR3B, HTR2A HTR2C 1/4885HTR2A 3/4885SLC6A4 42/4885
US-20100305212-A1 THERAPEUTIC COMPOUNDS HTR2C, HTR3B, HTR2A HTR2C 1/4885HTR2A 3/4885SLC6A4 42/4885

“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.