SCHEMBL1161585

SCHEMBL1161585

Cc1cc2ccc(O)cc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP2A6 P11509 1/20 0.57
FTO Q9C0B1 1/20 0.46
ESR2 Q92731 5/20 0.44
ESR1 P03372 4/20 0.44
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B1 P14061 2/20 0.43
MAPT P10636 1/20 0.43
ABL1 P00519 4/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1563936 0.92 CYP1A2 (0.57) CYP1A2CYP2A6FTOESR2ESR1
SCHEMBL18266963 0.79 CYP1A2 (0.67) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL8404528 0.78 CYP1A2 (0.61) CYP1A2CYP2A6TDP1ABL1CCR1
SCHEMBL29404737 0.78 CYP1A2 (0.61) CYP1A2CYP2A6TDP1ABL1CCR1
SCHEMBL12991382 0.77 CYP1A2 (0.59) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL15632245 0.76 CYP1A2 (0.52) CYP1A2CYP2A6MAPTABL1CCR1
SCHEMBL23676624 0.75 CYP1A2 (0.57) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL18574394 0.75 CYP1A2 (0.57) CYP1A2CYP2A6MAPTABL1CCR1
SCHEMBL24207389 0.75 CYP2A6 (0.57) CYP1A2CYP2A6CYP3A4ALOX15TSHR
SCHEMBL269264 0.75 CYP2A6 (0.57) CYP1A2CYP2A6MAPTABL1CYP11B1

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 CN disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
CN-102548409-A Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC INC 2012-07-04 CN disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 EP disclosed
EP-1219607-B1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO (JP) 2011-04-06 EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 WO disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 WO disclosed
US-7576198-B1 Integrase inhibitors containing aromatic heterocycle derivatives SHIONOGI & CO., LTD. (JP) 2009-08-18 US disclosed
EP-1219607-A1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 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 (4 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 CYP1A2 2647/4885CYP2A6 2831/4885FTO 4801/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 CYP1A2 4407/4885CYP2A6 4180/4885FTO 4850/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 CYP1A2 2865/4885CYP2A6 2857/4885FTO 4589/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 CYP1A2 4004/4885CYP2A6 3450/4885FTO 4426/4885

“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.