SCHEMBL8122001

SCHEMBL8122001

CC(C)c1cccc2c1OC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19490496 0.86 LMNA (0.43) LMNAOPRM1OPRD1MAPTMEN1
SCHEMBL13422911 0.83 IDO1 (0.36) LMNAOPRM1OPRD1MAPTMEN1
SCHEMBL14297655 0.82 GABRA1 (0.36) LMNAOPRM1OPRD1TSHRFAAH
SCHEMBL5961698 0.78 LMNA (0.51) LMNAMAPTMEN1KMT2APKM
SCHEMBL435089 0.76 LMNA (0.49) LMNAMAPTMEN1KMT2APKM
SCHEMBL31276294 0.75 LMNA (0.56) LMNAMAPTMEN1KMT2APKM
SCHEMBL14075681 0.75 LMNA (0.56) LMNAMAPTMEN1KMT2APKM
SCHEMBL16127631 0.74 LMNA (0.48) LMNAMAPTMEN1KMT2APKM
SCHEMBL10610789 0.74 LMNA (0.48) LMNAMAPTMEN1KMT2APKM
SCHEMBL18536181 0.74 ALDH1A1 (0.49) LMNAMAPTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 US disclosed
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-10703749-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-07-07 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 US disclosed
US-20190092770-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 US disclosed
WO-2019025467-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2019-02-07 WO disclosed
US-10189869-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-29 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed
US-3929837-A 2,3-Dihydro-2,2-dimethyl-7-isopropyl benzofuran and 2-(2,3-dihydro-2,2-dimethyl-7-benzofuranyl)isopropyl hydroperoxide ICI AUSTRALIA LTD 1975-12-30 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885OPRM1 3113/4885OPRD1 2748/4885
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I CD74, HLA-DRB1, MICA LMNA 4394/4885OPRM1 226/4885OPRD1 923/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885OPRM1 3113/4885OPRD1 2748/4885
US-20190092770-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 LMNA 2272/4885OPRM1 495/4885OPRD1 521/4885
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, VHL LMNA 4343/4885OPRM1 3602/4885OPRD1 3749/4885
US-10189869-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 LMNA 1952/4885OPRM1 3793/4885OPRD1 874/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP LMNA 1958/4885OPRM1 4542/4885OPRD1 1361/4885
US-10703749-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 LMNA 2272/4885OPRM1 495/4885OPRD1 521/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 LMNA 1587/4885OPRM1 3400/4885OPRD1 525/4885

“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.