SCHEMBL3433237

SCHEMBL3433237

Cc1ccc(N(C)c2cccc(O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
CYP3A4 P08684 3/20 0.48
ACHE P22303 2/20 0.48
ADRA1A P35348 4/20 0.47
ADRA2A P08913 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 2/20 0.47
LMNA P02545 2/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
SCN1A P35498 1/20 0.47

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
SCHEMBL2096469 0.86 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ACHELMNA
SCHEMBL9436732 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4ACHEADRA1A
SCHEMBL30745213 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4ACHEADRA1A
SCHEMBL2504998 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4ACHEADRA1A
SCHEMBL10042839 0.82 TSHR (0.46) ALDH1A1TSHRACHESIGMAR1MAPT
SCHEMBL6875954 0.81 ACHE (0.48) ALDH1A1TSHRACHECYP2C19SIGMAR1
SCHEMBL11594419 0.80 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4SIGMAR1HSD17B1
SCHEMBL619642 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4ACHEADRA1A
SCHEMBL6878932 0.79 ACHE (0.65) ALDH1A1TSHRCYP3A4ACHECYP2C19
SCHEMBL11572689 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4ACHEADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696898-B2 Reverse photochromic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-06-30 US disclosed
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
EP-0005451-A2 Process for the manufacture of cationic oxazinic compounds, the oxazinic compounds and their application to the dyeing and printing of textile materials CIBA-GEIGY AG (CH) 1979-11-28 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 (3 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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ALDH1A1 1457/4885TSHR 3676/4885CYP3A4 3508/4885
US-10696898-B2 Reverse photochromic compound CRY1, CRY2, C3AR1 ALDH1A1 840/4885TSHR 1792/4885CYP3A4 683/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 ALDH1A1 4277/4885TSHR 2157/4885CYP3A4 4043/4885

“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.