SCHEMBL14088917

SCHEMBL14088917

CCOc1ccc(C(C)C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALOX12 P18054 2/20 0.46
NTSR1 P30989 1/20 0.46
CCR6 P51684 1/20 0.46
MCL1 Q07820 1/20 0.46
TSHR P16473 5/20 0.44
HTT P42858 4/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MPO P05164 1/20 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
SCHEMBL29378631 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL50817 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL18911118 0.87 ALOX15 (0.45) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL10458263 0.82 IDO1 (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10893667 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL8781825 0.80 GABRA1 (0.48) LMNAHPGDTSHRL3MBTL1
SCHEMBL30876294 0.80 GABRA1 (0.48) LMNAHPGDTSHRL3MBTL1
SCHEMBL9344381 0.79 IDO1 (0.55) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL30339830 0.79 IDO1 (0.55) ALDH1A1LMNAHPGDMAPTNPSR1
SCHEMBL13719606 0.79 IDO1 (0.55) ALDH1A1LMNAHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7247631-B2 Pegylated interferon alfa-CCR5 antagonist combination HIV therapy SCHERING CORPORATION (US) 2007-07-24 US disclosed
US-7247631-B2 Pegylated interferon alfa-CCR5 antagonist combination HIV therapy SCHERING CORPORATION (US) 2007-07-24 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 (3 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 ALDH1A1 2736/4885LMNA 4866/4885HPGD 2745/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC ALDH1A1 688/4885LMNA 4271/4885HPGD 3177/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC ALDH1A1 1474/4885LMNA 3966/4885HPGD 2020/4885

“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.