SCHEMBL7585235

SCHEMBL7585235

[CH2]CCCCC1CCCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.55
CYP19A1 P11511 1/20 0.50
TBXAS1 P24557 1/20 0.50

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
SCHEMBL6241370 0.90 HTR6 (0.47) SIGMAR1
SCHEMBL6077542 0.88 CYP19A1 (0.54) SIGMAR1CYP19A1TBXAS1
SCHEMBL6244806 0.85 HTR6 (0.49) SIGMAR1
SCHEMBL6689910 0.84 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL30364914 0.84 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL80413 0.83 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL7086030 0.83 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL30496006 0.83 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL1760674 0.83 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL29117087 0.83 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848696-B1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-08-28 EP disclosed
US-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. 2002-06-27 US disclosed
US-6313163-B1 ADMINISTERING 2,4-PENTADIENOIC ACID DERIVATIVE FOR THERAPY OF DISEASE OR CONDITION RESPONSIVE TO THERAPY BY RETINOIDS ALLERGEN SALES, INC. 2001-11-06 US disclosed
US-6114533-A A COMPOUNDS HAVING A 2,4-PENTADIENOIC ACID OR 2,4-PENTADIENOIC ACID ESTER FUNCTION WHICH IS SUBSTITUTED IN THE 5-POSITION WITH TETRAHYDROQUINOLINYL GROUP ALLERGAN SALES, INC. (US) 2000-09-05 US disclosed
US-6034242-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-03-07 US disclosed
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO disclosed
US-5817836-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-10-06 US disclosed
US-5780647-A 2,4-Pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-07-14 US disclosed
EP-0848696-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-06-24 EP disclosed
US-5675033-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-10-07 US disclosed
US-5663367-A REGULATOR OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 WO disclosed
US-RE31543-E EPOXIDE, SILOXANE, ALUMINUM CATALYST DOW CORNING CORPORATION (US) 1984-03-27 US disclosed
US-3971747-A ORGANO-SILICON, EPOXIDE, ALUMINUM CONTAINING CATALYST DOW CORNING CORPORATION (US) 1976-07-27 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 (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-20020082419-A1 2,4-pentadienoic acid derivatives having retinoid-like biological activity RXRA, RXRB, CBR1 SIGMAR1 201/4885CYP19A1 1513/4885TBXAS1 718/4885

“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.