SCHEMBL20042831

SCHEMBL20042831

COc1ccc2c(C#Cc3c4ccccc4c(C#Cc4cccc5cc(OC)ccc45)c4cc(CC(C)CO)ccc34)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
CYP2D6 P10635 1/20 0.38
ABCB11 O95342 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CNR2 P34972 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL18251427 0.93 ACACB (0.34) ACACBCYP2D6ABCB11MTNR1AMTNR1B
SCHEMBL18251573 0.88 ACACB (0.35) ACACBCYP2D6MTNR1AMTNR1BCNR2
SCHEMBL18251425 0.82 PIN1 (0.36) ACACBCYP2D6MTNR1AMTNR1BCNR2
SCHEMBL21669942 0.82 CYP2D6 (0.34) CYP2D6
SCHEMBL19449071 0.82 CYP1A2 (0.49) CYP2D6MTNR1AMTNR1BCNR2CYP1A2
SCHEMBL23169140 0.79 CYP1A2 (0.42) ACACBCYP2D6ABCB11MTNR1AMTNR1B
SCHEMBL18239273 0.78 CYP1A2 (0.41) CYP2D6MTNR1AMTNR1BCNR2CYP1A2
SCHEMBL16925648 0.77 CYP1A2 (0.41) CYP2D6MTNR1AMTNR1BCYP1A2CYP2A6
SCHEMBL25057147 0.77 CYP1A2 (0.41) CYP2D6MTNR1AMTNR1BCNR2CYP1A2
SCHEMBL21697438 0.77 PIN1 (0.32)

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-10036754-B2 Water soluble fluorescent or colored dyes and methods for their use SONY CORPORATION (JP) 2018-07-31 US disclosed
US-20180100861-A1 WATER SOLUBLE FLUORESCENT OR COLORED DYES AND METHODS FOR THEIR USE SONY CORPORATION (JP) 2018-04-12 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-20180100861-A1 WATER SOLUBLE FLUORESCENT OR COLORED DYES AND METHODS FOR THEIR USE IK, B2M, TTBK2 ACACB 4401/4885CYP2D6 1205/4885ABCB11 2395/4885
US-10036754-B2 Water soluble fluorescent or colored dyes and methods for their use IK, B2M, TTBK2 ACACB 4401/4885CYP2D6 1205/4885ABCB11 2395/4885

“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.