SCHEMBL3935577

SCHEMBL3935577

CC1(C)CCC(C)(C)c2cc(NCCc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
OPRD1 P41143 1/20 0.48
CYP26A1 O43174 6/20 0.46
CYP26B1 Q9NR63 5/20 0.46
RARA P10276 3/20 0.45
RARB P10826 3/20 0.45
RARG P13631 3/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
BLVRB P30043 1/20 0.45
HDAC1 Q13547 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL8461595 0.85 RARB (0.63) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6336619 0.78 BACE1 (0.46) CYP26A1CYP26B1RARARARBRARG
SCHEMBL3943886 0.77 CYP26A1 (0.48) OPRD1CYP26A1CYP26B1RARARARB
SCHEMBL3937152 0.77 ABL1 (0.47) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6337726 0.76 ABL1 (0.49) CYP26A1CYP26B1RARARARBRARG
SCHEMBL26006715 0.76 RARB (0.50) L3MBTL1OPRD1CYP26A1CYP26B1RARA
SCHEMBL3934316 0.75 CYP26A1 (0.41) CYP26A1CYP26B1RARARARBRARG
SCHEMBL11653014 0.74 L3MBTL1 (0.86) L3MBTL1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL8106736 0.74 CYP26A1 (0.56) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22180634 0.73 RARB (0.53) CYP26A1CYP26B1RARARARBRARG

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-1430023-B1 SUBSTITUIED UREA RETINOID AGONISTS II HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-6838472-B2 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC (US) 2005-01-04 US disclosed
EP-1430023-A1 SUBSTITUIED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030125383-A1 Substituted urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-07-03 US disclosed
WO-2003024920-A1 SUBSTITUTED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 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 (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-20030125383-A1 Substituted urea retinoid agonists RXRA, RXRG, RARG L3MBTL1 3379/4885OPRD1 2546/4885CYP26A1 801/4885

“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.