SCHEMBL15869786

SCHEMBL15869786

COc1ccc2c(c1)Cc1cc(C)ccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.54
DRD2 P14416 4/20 0.51
DRD1 P21728 4/20 0.51
DRD5 P21918 4/20 0.51
DRD3 P35462 4/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CYP19A1 P11511 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 2/20 0.46
DRD4 P21917 2/20 0.46
MAOB P27338 2/20 0.45

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
SCHEMBL15483667 0.91 METAP1 (0.63) METAP1DRD2DRD1DRD5DRD3
SCHEMBL4581239 0.90 METAP1 (0.63) METAP1DRD2DRD1DRD5DRD3
SCHEMBL30777630 0.90 METAP1 (0.63) METAP1DRD2DRD1DRD5DRD3
SCHEMBL15869785 0.89 MPO (0.51) METAP1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL822754 0.85 MEN1 (0.54) METAP1DRD2DRD1DRD5DRD3
SCHEMBL29633547 0.83 METAP1 (0.57) METAP1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4897556 0.83 METAP1 (0.57) METAP1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL19850967 0.83 METAP1 (0.47) METAP1DRD2DRD1DRD5DRD3
SCHEMBL10693161 0.82 METAP1 (0.64) METAP1DRD2DRD1DRD5DRD3
SCHEMBL2914928 0.81 DRD1 (0.58) METAP1DRD2DRD1DRD5DRD3

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-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 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-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 METAP1 2858/4885DRD2 1118/4885DRD1 898/4885

“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.