SCHEMBL13327646

SCHEMBL13327646

CC(C)(C)c1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
TP53 P04637 5/20 0.52
HSD17B10 Q99714 7/20 0.51
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 9/20 0.51
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
P2RY6 Q15077 1/20 0.51
PKM P14618 1/20 0.51
USP2 O75604 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 6/20 0.50
HCRTR1 O43613 2/20 0.50
ATM Q13315 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL15783214 0.88 NPC1 (0.53) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL376001 0.84 ALDH1A1 (0.64) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL34460049 0.83 RAB9A (0.58) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL31027964 0.83 NPC1 (0.64) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL3288401 0.83 NPC1 (0.64) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL27286507 0.83 TP53 (0.56) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL12076741 0.82 ALDH1A1 (0.62) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL21898982 0.81 ESR1 (0.46) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL12376180 0.80 ALDH1A1 (0.60) NPC1TP53HSD17B10ALDH1A1MEN1
SCHEMBL2242175 0.80 NPC1 (0.65) NPC1TP53HSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20080023672-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080023672-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026250-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026250-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080023671-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080023671-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 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 (6 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-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG NPC1 2121/4885TP53 3513/4885HSD17B10 1647/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG NPC1 2121/4885TP53 3513/4885HSD17B10 1647/4885
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions OR10J3, OPRD1, OCIAD1 NPC1 4517/4885TP53 4269/4885HSD17B10 344/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG NPC1 3225/4885TP53 3609/4885HSD17B10 1137/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG NPC1 2121/4885TP53 3513/4885HSD17B10 1647/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 NPC1 1717/4885TP53 3806/4885HSD17B10 1042/4885

“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.