SCHEMBL4710256

SCHEMBL4710256

CC1(C)c2cc(C=Cc3ccc(C(=O)O)cc3)c(Cn3cccn3)cc2C(C)(C)[C@@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
RARA P10276 7/20 0.42
RARB P10826 6/20 0.42
RARG P13631 6/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RXRA P19793 4/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KLKB1 P03952 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
TBXAS1 P24557 2/20 0.34
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL4709343 1.00 HTT (0.42) HTTRARARARBRARGHDAC1
SCHEMBL4709341 1.00 HTT (0.42) HTTRARARARBRARGHDAC1
SCHEMBL4710253 1.00 HTT (0.42) HTTRARARARBRARGHDAC1
SCHEMBL4711960 0.90 RARA (0.46) HTTRARARARBRARGHDAC1
SCHEMBL4711962 0.90 RARA (0.46) HTTRARARARBRARGHDAC1
SCHEMBL4711107 0.90 RARA (0.46) HTTRARARARBRARGHDAC1
SCHEMBL4711109 0.90 RARA (0.46) HTTRARARARBRARGHDAC1
Palovarotene SCHEMBL29354070 0.88 RARB (0.57) HTTRARARARBRARGRXRA
Palovarotene SCHEMBL4658931 0.88 RARB (0.57) HTTRARARARBRARGRXRA
Palovarotene SCHEMBL4668028 0.88 RARB (0.57) HTTRARARARBRARGRXRA

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
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6777418-B2 FOR TREATING OR PREVENTING EMPHYSEMA, CANCER AND DERMATOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-08-17 US disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 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-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB HTT 3508/4885RARA 5/4885RARB 6/4885

“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.