SCHEMBL22149016

SCHEMBL22149016

COc1cc2c(OCc3ccccc3)cc(N)c(-c3ccc(C(F)(F)F)cc3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 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
SCHEMBL25837411 0.88 PTPN1 (0.45) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25837414 0.87 PTPN1 (0.44) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL22148986 0.85 PTPN1 (0.48) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25837396 0.84 PTPN1 (0.49) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL22149137 0.83 PTPN1 (0.46) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL22149090 0.79 MGLL (0.47) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL22148988 0.78 PPIA (0.46) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25876739 0.76 GSK3B (0.47) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25876740 0.75 GSK3B (0.46) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL25837218 0.75 CTSV (0.46) CDK5CDK5R1CDK1CCNB1CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317129-A1 Indolenaphthopyrans TRANSITIONS OPTICAL, LTD. (IE) 2021-10-14 US disclosed
WO-2020126029-A1 ARTICLES COMPRISING INDOLENAPHTHOPYRANS TRANSITIONS OPTICAL, LTD. (IE) 2020-06-25 WO disclosed
WO-2020126030-A1 INDOLENAPHTHOPYRANS AND PHOTOCHROMIC COMPOSITIONS COMPRISING THEM TRANSITIONS OPTICAL, LTD. (IE) 2020-06-25 WO 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 (1 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-20210317129-A1 Indolenaphthopyrans AHR, TDO2, TPH2 PTPN1 974/4885PTPN2 848/4885PTPN6 857/4885

“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.