SCHEMBL13877854

SCHEMBL13877854

C=C1N(C)c2ccccc2C1(Cc1ccccc1)Cc1ccc(CC2(Cc3ccccc3)C(=C)N(C)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ P2RX1 P51575 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8200893 0.81 HTR7 (0.41) ALDH1A1CYP2D6CYP1A2ELANEMAPT
SCHEMBL13877853 0.80 ITGB2 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL9256435 0.77 LMNA (0.37) ALDH1A1CYP3A4CYP2D6CYP2C19MAPK1
SCHEMBL13877848 0.72 HTT (0.61) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL8397425 0.71 HTT (0.51) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL918366 0.71 HTT (0.51) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL4615970 0.69 HTT (0.39) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL9750159 0.69 MPI (0.38) MEN1KMT2A
SCHEMBL29096760 0.69 ITGB2 (0.60) ALDH1A1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL14691430 0.69 HTR7 (0.45) ALDH1A1CYP2D6CYP1A2MAPK1ELANE

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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 — — US disclosed
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 — — 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 (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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same TXNL1, TMCO1, TFPI2 ALDH1A1 3651/4885CYP3A4 1415/4885CYP2D6 1064/4885

“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.

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