SCHEMBL3301372

SCHEMBL3301372

C=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.61
RXRA P19793 13/20 0.61
RARG P13631 13/20 0.61
RARA P10276 10/20 0.61
RXRB P28702 9/20 0.61
RXRG P48443 7/20 0.61
CYP26A1 O43174 4/20 0.51
CYP26B1 Q9NR63 1/20 0.51
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL12515953 0.85 RARB (0.66) RARBRXRARARGRARARXRB
SCHEMBL21549708 0.84 RARB (0.50) RARBRXRARARGRARARXRB
SCHEMBL21549722 0.83 RARB (0.56) RARBRXRARARGRARARXRB
SCHEMBL2195224 0.81 RXRA (0.66) RARBRXRARARGRARARXRB
SCHEMBL7799795 0.80 RARB (0.56) RARBRXRARARGRARARXRB
SCHEMBL21549719 0.80 RARB (0.56) RARBRXRARARGRARARXRB
SCHEMBL8338805 0.79 RXRA (0.61) RARBRXRARARGRARARXRB
SCHEMBL8904248 0.79 RXRA (0.61) RARBRXRARARGRARARXRB
SCHEMBL12517137 0.79 RARB (0.55) RARBRXRARARGRARARXRB
SCHEMBL7799775 0.79 RXRA (0.55) RARBRXRARARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010577-A Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids IO治疗公司 2022-09-06 CN disclosed
CN-111465402-B Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids IO治疗公司 2022-05-24 CN disclosed
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS Io Therapeutics, Inc. 2021-05-13 US disclosed
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2021-02-16 US disclosed
CN-111465402-A Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids IO治疗公司 2020-07-28 CN disclosed
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-18 US disclosed
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids Io Therapeutics, Inc. (US) 2020-03-17 US disclosed
US-20190152888-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS Io Therapeutics, Inc. 2019-05-23 US disclosed
US-8293803-B2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2012-10-23 US disclosed
US-20100093088-A1 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2010-04-15 US disclosed
EP-2130908-A2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2009-12-09 EP disclosed
EP-2054504-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2009-05-06 EP disclosed
WO-2008025965-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2008-03-06 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 (5 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-20190152888-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA RARB 5/4885RXRA 3/4885RARG 4/4885
US-20200190008-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA RARB 5/4885RXRA 3/4885RARG 4/4885
US-10590059-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA RARB 5/4885RXRA 3/4885RARG 4/4885
US-10919835-B2 Compounds and synthetic methods for the preparation of retinoid X receptor-specific retinoids RXRG, RXRB, RXRA RARB 5/4885RXRA 3/4885RARG 4/4885
US-20210139404-A1 COMPOUNDS AND SYNTHETIC METHODS FOR THE PREPARATION OF RETINOID X RECEPTOR-SPECIFIC RETINOIDS RXRG, RXRB, RXRA RARB 5/4885RXRA 3/4885RARG 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.