SCHEMBL3525164

SCHEMBL3525164

COC(=O)CCc1cc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ ABL1 P00519 3/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42

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
SCHEMBL3525492 0.85 MTNR1A (0.50) ALDH1A1LMNAHTTMTNR1AMTNR1B
SCHEMBL9108723 0.82 MTNR1A (0.61) ALDH1A1MTNR1AMTNR1BSMN1; SMN2HPGD
SCHEMBL11764648 0.80 CTSV (0.47) CYP1A2CYP2C9MEN1KMT2ACYP3A4
SCHEMBL852679 0.79 BACE1 (0.49) ALDH1A1ABL1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL22074027 0.78 MTNR1A (0.68) CYP1A2CYP2C9MEN1KMT2ACYP3A4
SCHEMBL3525308 0.78 MTNR1A (0.48) TSHRHDAC6ALDH1A1LMNAMTNR1A
SCHEMBL3525255 0.78 EGFR (0.54) MEN1KMT2AHDAC6ALDH1A1MTNR1A
SCHEMBL27713310 0.78 ELANE (0.47) CYP1A2CYP2C9MEN1KMT2ACYP3A4
SCHEMBL853651 0.78 KDM4E (0.60) CYP1A2CYP2C9ALDH1A1MTNR1AMTNR1B
SCHEMBL3529064 0.75 HRH4 (0.46) ALDH1A1MTNR1AMTNR1BSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 — — US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 — — US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 — — US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 — — 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP CYP1A2 475/4885CYP2C9 420/4885MEN1 2711/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CYP1A2 961/4885CYP2C9 1364/4885MEN1 4787/4885

“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.

Send feedback