SCHEMBL3937152

SCHEMBL3937152

CCCCCNc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
CYP26A1 O43174 7/20 0.43
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
BACE1 P56817 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TBXA2R P21731 1/20 0.43
BLVRB P30043 1/20 0.43
CYP26B1 Q9NR63 5/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6337726 0.98 ABL1 (0.49) ABL1CYP26A1RARARARBRARG
SCHEMBL6336619 0.95 BACE1 (0.46) ABL1CYP26A1RARARARBRARG
SCHEMBL3943886 0.82 CYP26A1 (0.48) CYP26A1RARARARBRARGMEN1
SCHEMBL3934316 0.79 CYP26A1 (0.41) CYP26A1RARARARBRARGMEN1
SCHEMBL3935577 0.77 L3MBTL1 (0.50) CYP26A1RARARARBRARGMEN1
SCHEMBL1241959 0.73 ABL1 (0.56) ABL1ALDH1A1CYP1A2TSHRMAPK1
SCHEMBL7142134 0.72 CYP26B1 (0.49) CYP26A1RARARARBRARGCYP3A4
SCHEMBL1931259 0.72 ABL1 (0.50) ABL1CYP3A4KMT2ABACE1ALDH1A1
SCHEMBL8122874 0.72 RARB (0.51) CYP26A1RARARARBRARGMEN1
SCHEMBL8106736 0.72 CYP26A1 (0.56) CYP26A1RARARARBRARGMEN1

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 14 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
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6844466-B2 Alkyl urea retinoid agonists SYNTEX (U.S.A.) LLC (US) 2005-01-18 US 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
EP-1430024-A1 ALKYL UREA RETINOID AGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030158226-A1 Alkyl urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US 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
WO-2003024921-A1 ALKYL UREA RETINOID AGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 WO disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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 (3 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 ABL1 4829/4885CYP26A1 801/4885RARA 5/4885
US-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB ABL1 4706/4885CYP26A1 474/4885RARA 1/4885
US-20030158226-A1 Alkyl urea retinoid agonists RXRG, RXRA, RXRB ABL1 4835/4885CYP26A1 1252/4885RARA 5/4885

“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.