SCHEMBL9898302

SCHEMBL9898302

COc1ccc2c(O)cc3c(c2c1)-c1ccc(-c2ccccc2OC)cc1C3(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
PDK2 Q15119 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39
CYP2C18 P33260 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
SCHEMBL1812200 0.90 PDK2 (0.48) HSP90AA1PDK2CYP1A2CYP3A4CYP2C19
SCHEMBL9898722 0.89 CYP1A1 (0.47) HSP90AA1PDK2MEN1KMT2ACYP1A2
SCHEMBL30125488 0.89 PDK2 (0.47) HSP90AA1PDK2MEN1KMT2ACYP1A2
SCHEMBL8513816 0.89 PDK2 (0.47) HSP90AA1PDK2MEN1KMT2ACYP1A2
SCHEMBL1813707 0.88 MEN1 (0.42) PDK2MEN1KMT2APTPN1HDAC4
SCHEMBL9932428 0.85 MEN1 (0.43) HSP90AA1PDK2MEN1KMT2ACYP1A2
SCHEMBL1814886 0.82 PDK2 (0.46) PDK2MEN1KMT2APTPN1HDAC4
SCHEMBL8513625 0.80 MEN1 (0.43) HSP90AA1PDK2MEN1KMT2ACYP1A2
SCHEMBL1010429 0.80 ALK (0.40) PDK2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9898823 0.79 CDK4 (0.36) MEN1KMT2AGAAALDH1A1

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-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

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 HSP90AA1 3197/4885PDK2 1246/4885MEN1 4483/4885

“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.