SCHEMBL4668638

SCHEMBL4668638

CNc1ccc(C(C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
HSD17B10 Q99714 3/20 0.42
HTR2A P28223 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
GNAI1 P63096 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL9320342 0.91 ESR1 (0.48) TSHRHSD17B10CYP3A4ALOX15ADRA2C
SCHEMBL1008910 0.84 ALDH1A1 (0.56) TSHRHSD17B10CYP3A4ALOX15ALOX12
SCHEMBL14283585 0.84 TSHR (0.59) TSHRHSD17B10HTR2ATAAR1CYP3A4
SCHEMBL9321260 0.84 TSHR (0.59) TSHRHSD17B10HTR2ATAAR1CYP3A4
SCHEMBL13975687 0.84 ALDH1A1 (0.56) TSHRHSD17B10CYP3A4ALOX15ALOX12
SCHEMBL8643448 0.83 ESR1 (0.55) TSHRTAAR1CYP2D6ADRA2CESR1
SCHEMBL19682009 0.82 ESR1 (0.41) TSHRHSD17B10ESR1PDCD1ESR2
SCHEMBL4547310 0.82 ALDH1A1 (0.59) TSHRHSD17B10CYP3A4ALOX15ALOX12
SCHEMBL11093676 0.80 TSHR (0.54) TSHRHSD17B10HTR2ACYP3A4ALOX15
SCHEMBL169730 0.80 TAAR1 (0.50) TSHRTAAR1CYP2D6ADRA2CESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221369-A1 Process for the preparation of substituted phenols DAICEL CHEMICAL INSDUSTRIES, LTD. (JP) 2008-09-11 US disclosed
EP-1967505-A1 Process for the preparation of substituted phenols Daicel Chemical Industries, Ltd. (JP) 2008-09-10 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-20080221369-A1 Process for the preparation of substituted phenols CYP1A1, NOX1, ROS1 TSHR 3848/4885HSD17B10 647/4885HTR2A 1122/4885

“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.