SCHEMBL7142134

SCHEMBL7142134

CCCCCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 2/20 0.49
CYP26A1 O43174 2/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
LPL P06858 4/20 0.44
LIPG Q9Y5X9 4/20 0.44
SKP2 Q13309 1/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL7143302 0.98 CYP26A1 (0.48) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL6909472 0.95 CYP26B1 (0.50) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL2897524 0.87 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL4668411 0.83 CYP26B1 (0.52) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL27473293 0.82 SLC6A2 (0.42) LPLLIPGESR1ADRA2AADORA3
SCHEMBL6675410 0.80 SLC6A2 (0.40) LPLLIPGESR1ADRA2AADORA3
SCHEMBL7143189 0.80 CYP26B1 (0.47) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL8811030 0.80 CYP26B1 (0.68) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL3176733 0.80 RXRA (0.54) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL24561495 0.79 CYP26A1 (0.38) CYP26B1CYP26A1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301505-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6403810-B2 RESPIRATORY SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-11 US disclosed
US-20020019438-A1 Thiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002004439-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 WO disclosed
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP 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-20020019438-A1 Thiophene derivatives RARG, RARA, RARB CYP26B1 337/4885CYP26A1 232/4885RXRA 4/4885

“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.