SCHEMBL9899542

SCHEMBL9899542

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(-c3ccc(OC)cc3OC)cc2C4(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2J2 P51589 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4F8 P98187 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
SCHEMBL9926878 0.91 GPR84 (0.35) CYP2C9CYP2C19BACE1MEN1KMT2A
SCHEMBL1187814 0.89 CA12 (0.32) CYP1A1CYP1B1CYP2C9CYP2C19CYP1A2
SCHEMBL1821732 0.88 PTGER4 (0.34) SYKKDM4EMAPTGPR84LMNA
SCHEMBL1007779 0.88 PDK2 (0.33) CYP1A1CYP1B1CYP2C9CYP2C19CYP1A2
SCHEMBL25607194 0.88 KDM4E (0.33) CYP2C9CYP2C19BACE1EDNRBEDNRA
SCHEMBL1189076 0.88 PDK2 (0.33) CYP1A1CYP1B1CYP2C9CYP2C19CYP1A2
SCHEMBL9899115 0.88 KDM4E (0.34) CYP2C9CYP2C19CYP3A4BACE1EDNRB
SCHEMBL5648722 0.87 EIF4A1 (0.33) CYP2C9CYP2C19CYP3A4EDNRBEDNRA
SCHEMBL9899249 0.87 ACP1 (0.33) KDM4ENPC1RAB9ATP53GPR84
SCHEMBL16705204 0.87 ESR1 (0.36) BACE1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US claimed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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 (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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 CYP1A1 38/4885CYP1B1 60/4885CYP2C9 471/4885

“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.