SCHEMBL18118554

SCHEMBL18118554

CC(C)(C)P(=O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 4/20 0.43
PTPN1 P18031 2/20 0.42
CYP2A6 P11509 2/20 0.40
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSTP1 P09211 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL17994354 0.94 TSHR (0.41) UTRNPTPN1CYP2A6CYP1A2TDP1
SCHEMBL11991034 0.86 PTPN1 (0.49) UTRNPTPN1CYP2A6CYP1A2TDP1
SCHEMBL11991025 0.82 PTPN1 (0.45) UTRNPTPN1GSTP1ESR1LMNA
SCHEMBL20900601 0.80 MRGPRX4 (0.34) UTRNPTPN1LMNANPC1RAB9A
SCHEMBL11991713 0.77 PTPN1 (0.47) PTPN1CYP2A6CYP1A2GSTP1ESR1
SCHEMBL13417802 0.77 CYP2A6 (0.44) PTPN1CYP2A6CYP1A2TDP1GSTP1
SCHEMBL18085206 0.77 ESR1 (0.48) PTPN1CYP2A6CYP1A2TDP1GSTP1
SCHEMBL3833758 0.76 GPR84 (0.45) PTPN1CYP2A6CYP1A2TDP1GSTP1
SCHEMBL19735278 0.74 PTPN1 (0.45) PTPN1CYP2A6TDP1L3MBTL1NPC1
SCHEMBL14339274 0.74 GPR84 (0.44) PTPN1CYP2A6CYP1A2TDP1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 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-9502669-B2 Organic light emitting diode LG CHEM, LTD. (KR) 2016-11-22 US disclosed
US-20160293852-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2016-10-06 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 (5 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 UTRN 2978/4885PTPN1 2128/4885CYP2A6 384/4885
US-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 UTRN 4511/4885PTPN1 692/4885CYP2A6 1317/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG UTRN 2978/4885PTPN1 2128/4885CYP2A6 384/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG UTRN 3091/4885PTPN1 1253/4885CYP2A6 324/4885
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 UTRN 3915/4885PTPN1 1699/4885CYP2A6 161/4885

“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.