SCHEMBL4666402

SCHEMBL4666402

CC1(C)CCC(C)(C)c2cc(C=O)c(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.43
RXRA P19793 10/20 0.43
RARB P10826 9/20 0.43
RARA P10276 7/20 0.43
RXRB P28702 5/20 0.34
RXRG P48443 4/20 0.34
ERN1 O75460 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 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
SCHEMBL11122818 0.86 RARB (0.41) RARGRXRARARBRARARXRB
SCHEMBL4666462 0.78 RARG (0.51) RARGRXRARARBRARARXRB
SCHEMBL7223563 0.77 RXRA (0.43) RARGRXRARARBRARARXRB
SCHEMBL4666464 0.77 PRKDC (0.44) RARGRXRARARBRARARXRB
SCHEMBL34465231 0.77 RXRA (0.43) RARGRXRARARBRARARXRB
SCHEMBL8807547 0.77 RXRA (0.44) RARGRXRARARBRARARXRB
SCHEMBL5947942 0.76 RXRA (0.44) RARGRXRARARBRARARXRB
SCHEMBL16767057 0.74 ERN1 (0.34) RARGRXRARARBRARAERN1
SCHEMBL7713216 0.74 ALDH1A1 (0.55) RARGRXRARARBRARARXRB
SCHEMBL7218540 0.74 RXRA (0.46) RARGRXRARARBRARARXRB

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-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
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
EP-1324970-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 WO disclosed
US-5256694-A For skin disorders; carcinomas BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5126371-A Precancerous skin conditions, acne, psoriasis BASF AKTEINGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-4994489-A Ester derivatives of diarylacetylenes, their compositions and their use in acne treatment BASF AKTIENGESELLSCHAFT 1991-02-19 US disclosed
EP-0176034-B1 DIARYL ACETYLENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed
US-4806558-A Diarylacetylenes and their use in treating acne BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0176034-A2 Diaryl acetylenes, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 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-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB RARG 4/4885RXRA 1/4885RARB 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.