Sugi Predict

Sugi Predict / Compounds / SCHEMBL1959801

SCHEMBL1959801

SCHEMBL1959801

C#CC(O)(c1ccc(F)cc1)c1ccc(OCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ NR5A1 Q13285 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FDPS P14324 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10262594 0.92 LTA4H (0.47) TSHRTP53CYP2D6LTA4HNR5A1
SCHEMBL25877173 0.88 NR5A1 (0.56) TSHRTP53LTA4HNR5A1LMNA
SCHEMBL28365758 0.87 LTA4H (0.51) TSHRTP53LTA4HNR5A1SMN1; SMN2
SCHEMBL9933229 0.87 LTA4H (0.51) TSHRTP53LTA4HNR5A1SMN1; SMN2
SCHEMBL1818269 0.87 AHR (0.43) FAAHTSHRTDP1L3MBTL1LTA4H
SCHEMBL28370253 0.87 AHR (0.43) FAAHTSHRTDP1L3MBTL1LTA4H
SCHEMBL15763651 0.87 LTA4H (0.42) TSHRL3MBTL1LTA4HNR5A1SMN1; SMN2
SCHEMBL1817358 0.87 SMN1; SMN2 (0.45) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL10261885 0.86 LTA4H (0.47) L3MBTL1LTA4HLMNAALDH1A1
SCHEMBL15947095 0.82 ACACB (0.44) L3MBTL1LTA4HSMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096088-B Process for preparing fused ring indeno compounds 光学转变公司 2021-04-30 — — CN disclosed
CN-105849089-B Process for preparing fused ring indeno compounds 光学转变公司 2020-10-09 — — CN disclosed
EP-2651911-B9 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC (US) 2019-07-17 — — EP disclosed
EP-3071550-B1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 — — EP disclosed
EP-2651911-B1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC (US) 2019-02-20 — — EP disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 — — US disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 — — EP disclosed
EP-3071550-A1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 — — EP disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 — — US disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 — — US disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 — — US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 — — WO disclosed
WO-2013032608-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2013-03-07 — — WO disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
US-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC. (US) 2012-06-21 — — US disclosed
WO-2012082381-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 — — US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 — — US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 — — US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 — — 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-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM LSS, DCXR, NISCH FAAH 2679/4885TSHR 4401/4885TP53 167/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 FAAH 780/4885TSHR 3718/4885TP53 778/4885
US-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 FAAH 2948/4885TSHR 3550/4885TP53 2854/4885
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 FAAH 4116/4885TSHR 4755/4885TP53 770/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX FAAH 1435/4885TSHR 4783/4885TP53 956/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 FAAH 2948/4885TSHR 3550/4885TP53 2854/4885

“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.