Sugi Predict

Sugi Predict / Compounds / SCHEMBL1962064

SCHEMBL1962064

SCHEMBL1962064

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CYP2C9 P11712 1/20 0.42
▸ CXCR2 P25025 1/20 0.42
▸ DEGS1 O15121 1/20 0.42
▸ LPL P06858 4/20 0.40
▸ LIPG Q9Y5X9 4/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ KDM1B Q8NB78 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL1531906 1.00 CA1 (0.51) CA1CA2CA9ALDH1A1LMNA
SCHEMBL16011399 1.00 CA1 (0.51) CA1CA2CA9ALDH1A1LMNA
SCHEMBL2015238 0.97 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1958394 0.97 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL2015239 0.97 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1960036 0.97 CA1 (0.48) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1962066 0.87 MAPT (0.44) CA1CA2CA9ALDH1A1LMNA
SCHEMBL1962070 0.87 MAPT (0.44) CA1CA2CA9ALDH1A1LMNA
SCHEMBL12190256 0.85 LPL (0.52) ALDH1A1LMNAMAPTCYP2C9LPL
SCHEMBL1961256 0.85 ALDH1A1 (0.42) CA1CA2CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 — — EP disclosed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 — — EP disclosed
EP-3071550-B1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 — — EP disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 — — US disclosed
EP-3071551-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 — — EP disclosed
EP-3071576-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 — — EP disclosed
EP-3071550-A1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 — — EP disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 — — EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 — — EP disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 — — US disclosed
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 — — US disclosed
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 — — US disclosed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 — — US disclosed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 — — EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 — — US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 — — US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
US-20110143141-A1 Photochromic compounds and compositions 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 CA1 2445/4885CA2 3582/4885CA9 2685/4885
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 CA1 17/4885CA2 86/4885CA9 3/4885
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds IPO5, INCENP, NQO1 CA1 4448/4885CA2 3848/4885CA9 1635/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 CA1 17/4885CA2 86/4885CA9 3/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX CA1 3489/4885CA2 3633/4885CA9 2069/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 CA1 2374/4885CA2 453/4885CA9 690/4885

“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.