SCHEMBL29823656

SCHEMBL29823656

CCCCN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 4/20 0.55
THRB P10828 4/20 0.55
LMNA P02545 3/20 0.55
RECQL P46063 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
PKM P14618 2/20 0.55
PLIN1 O60240 1/20 0.55
TSHR P16473 1/20 0.55
PLIN5 Q00G26 1/20 0.55
ABHD5 Q8WTS1 1/20 0.55
NPSR1 Q6W5P4 3/20 0.53
ALPG P10696 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GFER P55789 1/20 0.52

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
SCHEMBL11789014 1.00 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL16315812 0.97 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL19748168 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL29823373 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL30597998 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL19748255 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8680635 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL19747698 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL29414138 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6427887 0.96 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA

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 2 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

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-11352554-B2 Photochromic water harvesting platform AQP1, AQP3, BLM MAPT 593/4885SMN1; SMN2 4582/4885MEN1 4705/4885

“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.