SCHEMBL6099384

SCHEMBL6099384

COc1ccc(-c2ccc(F)cc2)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
PDE4A P27815 1/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
CFD P00746 1/20 0.44
ACLY P53396 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
CTSA P10619 1/20 0.42
HTR2C P28335 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41

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
SCHEMBL11692501 0.87 CFD (0.56) ALDH1A1SMN1; SMN2RAB9ACFDACLY
SCHEMBL43492 0.86 PIN1 (0.49) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL24302512 0.85 NR1H4 (0.58) PDE4AMAPTSMN1; SMN2NR1H4CFD
SCHEMBL20323264 0.83 LMNA (0.54) ALDH1A1PDE4ASMN1; SMN2RAB9ALMNA
SCHEMBL3796520 0.81 PDE4D (0.47) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL8567276 0.81 SLC6A4 (0.45) ALDH1A1GAAPDE4ASMN1; SMN2RAB9A
SCHEMBL4600875 0.80 ACLY (0.48) ALDH1A1GAAPDE4AMAPTSMN1; SMN2
SCHEMBL3133634 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9AACLYHTT
SCHEMBL17239836 0.76 NFE2L2 (0.58) ALDH1A1PDE4AMAPTSMN1; SMN2RAB9A
SCHEMBL18070537 0.76 BCL2L1 (0.41) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 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 (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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B ALDH1A1 136/4885GAA 2747/4885PDE4A 1513/4885

“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.