SCHEMBL403754

SCHEMBL403754

Oc1ccc(Br)cc1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 2/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
TERT O14746 1/20 0.35
HTR2B P41595 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL16046506 0.81 CHRNB2 (0.38) ALOX15POLBALDH1A1LMNACYP2C9
SCHEMBL22321085 0.80 MEN1 (0.41) POLBCYP2C9MEN1GAAKMT2A
SCHEMBL396122 0.79 ALOX15 (0.42) ALOX15POLBALDH1A1LMNAHPGD
SCHEMBL8796193 0.79 CXCR3 (0.36) POLBCYP1A2CYP2C19ERN1MEN1
SCHEMBL4614199 0.77 SCN9A (0.35) POLBCYP2C9MEN1GAAKMT2A
SCHEMBL3846964 0.75 ALDH1A1 (0.47) ALOX15POLBALDH1A1TSHRLMNA
SCHEMBL645528 0.75 ALDH1A1 (0.45) ALOX15POLBALDH1A1TSHRCYP2C9
SCHEMBL11581062 0.75 POLB (0.55) ALOX15POLBALDH1A1TSHRRAB9A
SCHEMBL345589 0.73 HTR2A (0.42) ALOX15POLBALDH1A1TSHRRAB9A
SCHEMBL27199179 0.73 SCN9A (0.34) ALOX15POLBALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
EP-1412317-B1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES SIGMA TAU IND FARMACEUTI (IT) 2010-12-22 EP disclosed
US-7517907-B2 Pharmaceutical/cosmetic compositions comprising a novel RARbeta receptor-activating ligand GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-04-14 US disclosed
EP-1680413-B1 NEW RAR-beta RECEPTOR-ACTIVATING LIGAND, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2008-11-19 EP disclosed
US-7449495-B2 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-11 US disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 US disclosed
US-20070004698-A1 Pharmaceutical/cosmetic compositions comprising a novel RARbeta receptor-activating ligand GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2007-01-04 US disclosed
CN-1279014-C Retinoid derivatives having antiangiogenic, antitumor and pro-apoptotic activities SIGMA TAU IND FARMACEUTI (IT) 2006-10-11 CN disclosed
EP-1680413-A1 NEW RAR$G(B) RECEPTOR-ACTIVATING LIGAND, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-07-19 EP disclosed
WO-2005040148-A1 NEW RAR$G(B) RECEPTOR-ACTIVATING LIGAND, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-05-06 WO disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 US disclosed
US-5212303-A Benzonaphthalene derivatives, a process for their preparation and their use in therapeutic and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1993-05-18 US disclosed
US-5183889-A For topical or systemic treatment of dermatologic disease, degeneration of conjunction tissues and tumors CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1993-02-02 US disclosed
US-5098895-A Skin disorders and antitumor agents CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1992-03-24 US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4940696-A Benzonaphthalene derivatives and their use in therapeutic and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES (CIRD) (FR) 1990-07-10 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
EP-0199636-B1 BENZONAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACY AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. Groupement d'Intérêt Economique dit: (FR) 1989-02-08 EP disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed
US-4717720-A DERMATOLOGIC DISEASES, CONJUCTIVE TISSUE DEGENERATION AND ANTI-TUMOR ACTIVITY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1988-01-05 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-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities RARA, RARB, RXRA ALOX15 784/4885POLB 1679/4885ALDH1A1 197/4885
US-20070004698-A1 Pharmaceutical/cosmetic compositions comprising a novel RARbeta receptor-activating ligand RARB, RARG, RARA ALOX15 1897/4885POLB 1145/4885ALDH1A1 223/4885

“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.