SCHEMBL17868301

SCHEMBL17868301

COc1ccccc1P(c1ccccc1OC)c1cccc2c1OCCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GAA P10253 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16323362 0.96 CTNNB1 (0.37) CTNNB1WNT3AMAPTDRD2DRD1
SCHEMBL16361854 0.96 CTNNB1 (0.37) CTNNB1WNT3AMAPTDRD2DRD1
SCHEMBL16361856 0.90 HTR2A (0.40) CTNNB1WNT3ALMNAMAPTDRD2
SCHEMBL16325179 0.90 HTR2A (0.40) CTNNB1WNT3ALMNAMAPTDRD2
SCHEMBL17875584 0.90 MAPT (0.36) CTNNB1WNT3ALMNASMN1; SMN2ALDH1A1
SCHEMBL1835217 0.85 PARP1 (0.39)
SCHEMBL1835087 0.81 PARP1 (0.40)
SCHEMBL18559357 0.80 CTNNB1 (0.31) CTNNB1WNT3ADRD1
SCHEMBL16362124 0.79 PARP1 (0.41) ALDH1A1MAPTHTR2AHTR2C
SCHEMBL16361841 0.79 DRD1 (0.42) DRD1TDP1

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-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 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-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION ALK, PHOSPHO1, MPL CTNNB1 3389/4885WNT3A 3706/4885LMNA 4713/4885

“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.