SCHEMBL13868655

SCHEMBL13868655

COc1ccc(-c2cc3c4c(cc(O)c3cc2OC)C2(CC(C)(C)CC(C)(C)C2)c2ccccc2-4)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL10293306 1.00 PDK2 (0.34) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL10292671 0.96 AVPR2 (0.33) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL10261681 0.96 PDK2 (0.34) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL10261395 0.95 AVPR1A (0.36) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL10267872 0.93 MEN1 (0.35) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL10292851 0.93 PDK2 (0.35) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL16301321 0.93 PGAM1 (0.32) PDK2HDAC4HDAC2HDAC8KMT2A
SCHEMBL13868706 0.93 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1CYP3A4KDM4E
SCHEMBL10262914 0.91 TTR (0.34) CYP3A4HPGDMAPT
SCHEMBL10261863 0.91 PDK2 (0.34) PDK2CYP3A4CYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133211-A1 PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC CYCLIC COMPOUND TOKUYAMA CORPORATION (JP) 2023-05-04 US disclosed
US-11066523-B2 Photochromic polyrotaxane compound and curable composition comprising the photochromic polyrotaxane compound TOKUYAMA CORPORATION (JP) 2021-07-20 US disclosed
EP-3783084-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND, AND OPTICAL ARTICLE Tokuyama Corporation (JP) 2021-02-24 EP disclosed
US-20210032532-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND, AND OPTICAL ARTICLE TOKUYAMA CORPORATION (JP) 2021-02-04 US disclosed
US-20200190106-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2020-06-18 US disclosed
US-20200172681-A1 PHOTOCHROMIC POLYROTAXANE COMPOUND AND CURABLE COMPOSITION COMPRISING THE PHOTOCHROMIC POLYROTAXANE COMPOUND TOKUYAMA CORPORATION (JP) 2020-06-04 US disclosed
WO-2019203205-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND, AND OPTICAL ARTICLE 株式会社トクヤマ 2019-10-24 WO disclosed
WO-2019013249-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING SAME, AND OPTICAL ARTICLE COMPRISING CURED PRODUCT FORMED OF CURABLE COMPOSITION 株式会社トクヤマ 2019-01-17 WO disclosed
US-7521004-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2009-04-21 US disclosed
US-7521004-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2009-04-21 US disclosed
EP-1674460-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2009-01-21 EP disclosed
US-20070215844-A1 Chromene Compound TOKUYAMA CORPORATION (JP) 2007-09-20 US disclosed
US-20070215844-A1 Chromene Compound TOKUYAMA CORPORATION (JP) 2007-09-20 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 (3 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-20200190106-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION INCENP, SMCHD1, ILK PDK2 3372/4885HDAC4 948/4885HDAC2 1241/4885
US-20070215844-A1 Chromene Compound CRY2, TYR, CRY1 PDK2 893/4885HDAC4 2860/4885HDAC2 879/4885
US-20230133211-A1 PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC CYCLIC COMPOUND CRY1, CCNL2, CCNT1 PDK2 2496/4885HDAC4 1292/4885HDAC2 1442/4885

“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.