SCHEMBL19746778

SCHEMBL19746778

C=C1N(CCCCCCCCCCCCCCCCCC)c2ccc(OC)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
HDAC2 Q92769 1/20 0.41
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
DYRK1A Q13627 1/20 0.36
PLA2G2A P14555 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
TLR8 Q9NR97 3/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
SMPD1 P17405 1/20 0.33

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
SCHEMBL10643897 1.00 SCN9A (0.43) SCN9AHDAC2CBX7CDYL2CDYL
SCHEMBL30996196 0.95 HDAC2 (0.43) SCN9AHDAC2CBX7CDYL2CDYL
SCHEMBL4615673 0.84 ALDH1A1 (0.45) HDAC2DYRK1AKDM4EALDH1A1GLA
SCHEMBL13224440 0.82 KMT2A (0.49) SCN9AALDH1A1MEN1KMT2A
SCHEMBL31318113 0.82 OPRM1 (0.42) SCN9AMEN1KMT2A
SCHEMBL15066621 0.82 KMT2A (0.49) SCN9AALDH1A1MEN1KMT2A
SCHEMBL9615201 0.81 GPR3 (0.37) SCN9AKDM4EALDH1A1HIF1AACHE
SCHEMBL8925479 0.80 SCN9A (0.34) SCN9AKDM4EALDH1A1CNR2MEN1
SCHEMBL19746373 0.78 KMT2A (0.50) SCN9AALDH1A1GLACNR2MEN1
SCHEMBL9868831 0.78 KMT2A (0.50) SCN9AALDH1A1GLACNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475387-B1 PHOTOCHROMIC WATER HARVESTING PLATFORM WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2023-09-06 EP disclosed
US-11352554-B2 Photochromic water harvesting platform WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2022-06-07 US disclosed
US-20190153306-A1 Photochromic Water Harvesting Platform WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2019-05-23 US disclosed
EP-3475387-A1 PHOTOCHROMIC WATER HARVESTING PLATFORM The Warner-Babcock Institute For Green Chemistry LLC (US) 2019-05-01 EP disclosed
WO-2017223397-A1 PHOTOCHROMIC WATER HARVESTING PLATFORM WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2017-12-28 WO 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 (2 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-11352554-B2 Photochromic water harvesting platform AQP1, AQP3, BLM SCN9A 3889/4885HDAC2 4767/4885CBX7 394/4885
US-20190153306-A1 Photochromic Water Harvesting Platform AQP1, AQP3, BLM SCN9A 3889/4885HDAC2 4767/4885CBX7 394/4885

“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.