SCHEMBL4593508

SCHEMBL4593508

CC1(C)CCC(C)(C)c2cc(I)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.44
RARB P10826 11/20 0.44
RXRB P28702 10/20 0.44
RARG P13631 10/20 0.44
RXRG P48443 6/20 0.44
RARA P10276 7/20 0.42
CYP26A1 O43174 3/20 0.41
CYP3A4 P08684 2/20 0.41
CRABP2 P29373 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24701909 0.81 RARB (0.49) RXRARARBRXRBRARGRXRG
SCHEMBL16523407 0.77 RARB (0.74) RXRARARBRXRBRARGRXRG
SCHEMBL5847316 0.76 RARB (0.59) RXRARARBRXRBRARGRXRG
SCHEMBL1615553 0.74 RXRA (0.46) RXRARARBRXRBRARGRXRG
SCHEMBL17911588 0.74 RXRA (0.67) RXRARARBRXRBRARGRXRG
SCHEMBL11599145 0.74 RXRA (0.42) RXRARARBRXRBRARGRXRG
SCHEMBL6779600 0.73 RXRA (0.43) RXRARARBRXRBRARGRXRG
SCHEMBL7756501 0.73 RARB (0.64) RXRARARBRXRBRARGRXRG
SCHEMBL3169358 0.73 HTR2A (0.46) RXRARARBRXRBRARGRXRG
SCHEMBL4047286 0.73 RXRA (0.46) RXRARARBRXRBRARGRXRG

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000631-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION UNIVERSITY OF DURHAM (GB) 2026-01-01 US disclosed
US-12344587-B2 Synthetic retinoids for use in RAR activation UNIVERSITY OF DURHAM (GB) 2025-07-01 US disclosed
US-11807616-B2 Organic compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-07 US disclosed
US-11807616-B2 Organic compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-07 US disclosed
WO-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 WO disclosed
WO-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 WO disclosed
US-20230265063-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265063-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-24 US disclosed
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP disclosed
EP-4083029-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2022-11-02 EP disclosed
WO-2012076842-A1 SYNTHETIC RETINOIDS FOR CONTROL OF CELL DIFFERENTIATION UNIVERSITY OF DURHAM (GB) 2012-06-14 WO disclosed
EP-1453496-A4 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN INC (US) 2008-10-08 EP disclosed
US-20050004165-A1 Composition and method for modulating BAR/FXR receptor activity FORMAN BARRY M (US) 2005-01-06 US disclosed
EP-1453496-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY Allergan, Inc. (US) 2004-09-08 EP disclosed
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity ALLERGAN SALES, INC. 2003-07-31 US disclosed
WO-2003043581-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-30 WO disclosed
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 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 (6 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-20260000631-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION RARB, RARA, RXRA RXRA 3/4885RARB 1/4885RXRB 4/4885
US-20230265063-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME PIEZO1, OR10J3, OR51E2 RXRA 2012/4885RARB 2354/4885RXRB 2635/4885
US-20050004165-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 RXRA 35/4885RARB 181/4885RXRB 28/4885
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 RXRA 35/4885RARB 181/4885RXRB 28/4885
US-11807616-B2 Organic compound, and electronic element and electronic device using same PIEZO1, OR10J3, OR51E2 RXRA 2012/4885RARB 2354/4885RXRB 2635/4885
US-12344587-B2 Synthetic retinoids for use in RAR activation RARA, RXRA, RARB RXRA 2/4885RARB 3/4885RXRB 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.