SCHEMBL4666958

SCHEMBL4666958

COC(=O)c1ccc(/C=C/c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.75
RARG P13631 7/20 0.75
RARA P10276 6/20 0.75
CYP3A4 P08684 3/20 0.49
PTPN1 P18031 1/20 0.49
RXRA P19793 6/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
VDR P11473 2/20 0.47
CYP26A1 O43174 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL2594345 1.00 RARB (0.75) RARBRARGRARACYP3A4PTPN1
SCHEMBL10844561 0.93 RARB (0.64) RARBRARGRARACYP3A4PTPN1
SCHEMBL10844563 0.93 RARB (0.64) RARBRARGRARACYP3A4PTPN1
SCHEMBL10846838 0.88 RARA (0.72) RARBRARGRARARXRARXRB
SCHEMBL10846840 0.88 RARA (0.72) RARBRARGRARARXRARXRB
SCHEMBL14159976 0.86 RARB (0.57) RARBRARGRARACYP3A4PTPN1
SCHEMBL14159896 0.86 RARB (0.57) RARBRARGRARACYP3A4PTPN1
SCHEMBL156460 0.86 RARB (1.00) RARBRARGRARACYP3A4RXRA
SCHEMBL10841477 0.86 RARB (1.00) RARBRARGRARACYP3A4RXRA
SCHEMBL10842924 0.85 RARB (0.55) RARBRARGRARACYP3A4PTPN1

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 9 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
US-20070232810-A1 Process for preparing retinoid compounds ROCHE PALO ALTO LLC 2007-10-04 US 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-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 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 (2 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 RARB 6/4885RARG 4/4885RARA 5/4885
US-20070232810-A1 Process for preparing retinoid compounds RARB, RARG, RARA RARB 1/4885RARG 2/4885RARA 3/4885

“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.