SCHEMBL4864496

SCHEMBL4864496

Cc1cc(C)cc(Cc2c(C)cc(C)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
IDH1 O75874 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
RAPGEF4 Q8WZA2 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL1316919 0.83 HTR1D (0.48) HTR1DHTR1BHRH3RAPGEF4CYP11B1
SCHEMBL23269933 0.81 RAPGEF4 (0.44) HTR1DHTR1BIDH1HRH3RAPGEF4
SCHEMBL28637900 0.81 SHBG (0.48) HTR1DHTR1BRAPGEF4ALDH1A1NR3C1
SCHEMBL3588189 0.80 IDH1 (0.46) IDH1CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL7819859 0.78 CALM1 (0.48) HTR1DHTR1BIDH1ALDH1A1TSHR
SCHEMBL18557216 0.78 ALDH1A1 (0.44) HTR1DHTR1BIDH1RAPGEF4ALDH1A1
SCHEMBL25718436 0.77 IDH1 (0.33) HTR1DHTR1BIDH1THRATHRB
SCHEMBL15799777 0.75 THRB (0.57) IDH1RAPGEF4ALDH1A1NR3C1PGR
SCHEMBL28817887 0.75 KMT2A (0.51) HTR1DHTR1BCYP11B1CYP11B2ALDH1A1
SCHEMBL3690305 0.74 ALDH1A1 (0.44) IDH1HRH3RAPGEF4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414160-B2 Process for producing aromatic compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-19 US disclosed
US-20060106261-A1 Process for producing aromatic compounds ISHII YASUTAKA 2006-05-18 US disclosed
EP-1342711-A2 Process for producing aromatic compounds Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP 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 (1 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-20060106261-A1 Process for producing aromatic compounds PAH, HPD, HAO2 HTR1D 199/4885HTR1B 403/4885IDH1 298/4885

“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.